6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone

C158H152ClN3O11S2 — CID 161129821

IUPAC6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
SMILESCOc1ccc2cc(C)ccc2c1.Cc1ccc(/C=C2\CCCCC2=O)cc1.Cc1ccc(C(=O)c2ccccc2)s1.Cc1ccc(C(=O)c2cccs2)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC2CCCC2=O)cc1.Cc1ccc(N2Cc3ccccc3C2=O)cc1.Cc1ccc2c(c1)CC(=O)c1cc(C)ccc1O2.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)[nH]c1ccc(Cl)cc12.Cc1cccc(C(=O)c2ccccc2)c1.Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O2.C15H13NO.C14H12O.C14H16O.C13H10ClN.C13H11NO.C13H16O.C13H12O.2C12H10OS.C12H12O.C11H16/c1-10-3-5-15-12(7-10)9-14(17)13-8-11(2)4-6-16(13)18-15;1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17;1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12;1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-8-2-4-10-11-7-9(14)3-5-12(11)15-13(10)6-8;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14;1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9(2)8-11-6-4-10(3)5-7-11/h3-8H,9H2,1-2H3;2-9H,10H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-7,15H,1H3;2-7H,8H2,1H3;5-8,12H,2-4,9H2,1H3;2-10H,1H3;2*2-8H,1H3;3-8H,1-2H3;4-7,9H,8H2,1-3H3/b;;;13-10+;;;;;;;;
InChIKeyUMAOJLCDTRUBAG-VZZYKVHRSA-N
MW2368.55 g/mol
LogP40.73
Rot. Bonds15

About 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone

6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone (PubChem CID 161129821) has the molecular formula C158H152ClN3O11S2 and a molecular weight of 2368.55 g/mol. Its IUPAC name is 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
PubChem CID161129821
Molecular FormulaC158H152ClN3O11S2
Molecular Weight2368.55 g/mol
Exact Mass2366.06
IUPAC Name6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
SMILESCOc1ccc2cc(C)ccc2c1.Cc1ccc(/C=C2\CCCCC2=O)cc1.Cc1ccc(C(=O)c2ccccc2)s1.Cc1ccc(C(=O)c2cccs2)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC2CCCC2=O)cc1.Cc1ccc(N2Cc3ccccc3C2=O)cc1.Cc1ccc2c(c1)CC(=O)c1cc(C)ccc1O2.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)[nH]c1ccc(Cl)cc12.Cc1cccc(C(=O)c2ccccc2)c1.Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O2.C15H13NO.C14H12O.C14H16O.C13H10ClN.C13H11NO.C13H16O.C13H12O.2C12H10OS.C12H12O.C11H16/c1-10-3-5-15-12(7-10)9-14(17)13-8-11(2)4-6-16(13)18-15;1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17;1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12;1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-8-2-4-10-11-7-9(14)3-5-12(11)15-13(10)6-8;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14;1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9(2)8-11-6-4-10(3)5-7-11/h3-8H,9H2,1-2H3;2-9H,10H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-7,15H,1H3;2-7H,8H2,1H3;5-8,12H,2-4,9H2,1H3;2-10H,1H3;2*2-8H,1H3;3-8H,1-2H3;4-7,9H,8H2,1-3H3/b;;;13-10+;;;;;;;;
InChIKeyUMAOJLCDTRUBAG-VZZYKVHRSA-N
XLogP40.73
TPSA188.33 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.55
LogP ≤ 540.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone with MolForge

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Related Compounds

2-(4-acetylphenyl)-1-[(1S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone;1-[2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-2-[4-(1-methoxyethenylamino)phenyl]ethanone;2-chloro-5-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 161642904
6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline
CID 158540100
(4-chlorophenyl)-(3-ethyl-5-methoxyindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 158676530
6-chloro-2-(3-methylbutan-2-yl)-9H-carbazole;3-(3-methylbutan-2-yl)-5H-benzo[b][1]benzothiepin-6-one;7-(3-methylbutan-2-yl)-5H-chromeno[2,3-b]pyridine;1-(3-methylbutan-2-yl)-4-(2-methylpropyl)benzene;1-(3-methylbutan-2-yl)-3-phenoxybenzene;2-[4-(3-methylbutan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(3-methylbutan-2-yl)phenyl]methyl]cyclopentan-1-one;(2E)-2-[[4-(3-methylbutan-2-yl)phenyl]methylidene]cyclohexan-1-one;8-methyl-3-(3-methylbutan-2-yl)-6H-benzo[b][1]benzoxepin-5-one
CID 160288515
6-chloro-2-(3-methylbutan-2-yl)-9H-carbazole;2-fluoro-4-(3-methylbutan-2-yl)-1-phenylbenzene;3-(3-methylbutan-2-yl)-5H-benzo[b][1]benzothiepin-6-one;7-(3-methylbutan-2-yl)-5H-chromeno[2,3-b]pyridine;1-(3-methylbutan-2-yl)-4-(2-methylpropyl)benzene;2-[4-(3-methylbutan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(3-methylbutan-2-yl)phenyl]methyl]cyclopentan-1-one;(2E)-2-[[4-(3-methylbutan-2-yl)phenyl]methylidene]cyclohexan-1-one;8-methyl-3-(3-methylbutan-2-yl)-6H-benzo[b][1]benzoxepin-5-one
CID 160602502
6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 160744551
2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one
CID 160788802
2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-carbazol-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 161502565
1-tert-butyl-4-dimethylphosphorylbenzene;6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;1-dimethylphosphoryl-3-(2,2-dimethylpropyl)benzene;1-dimethylphosphoryl-4-(2,2-dimethylpropyl)benzene;2-dimethylphosphoryl-4-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;1-(2,2-dimethylpropyl)-4-methoxybenzene;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline
CID 161868762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?
The IUPAC name of 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone (CID 161129821) is 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone.
What is the SMILES notation for 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?
The canonical SMILES for 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone is COc1ccc2cc(C)ccc2c1.Cc1ccc(/C=C2\CCCCC2=O)cc1.Cc1ccc(C(=O)c2ccccc2)s1.Cc1ccc(C(=O)c2cccs2)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC2CCCC2=O)cc1.Cc1ccc(N2Cc3ccccc3C2=O)cc1.Cc1ccc2c(c1)CC(=O)c1cc(C)ccc1O2.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)[nH]c1ccc(Cl)cc12.Cc1cccc(C(=O)c2ccccc2)c1.Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?
The InChIKey is UMAOJLCDTRUBAG-VZZYKVHRSA-N. The full InChI is InChI=1S/C16H14O2.C15H13NO.C14H12O.C14H16O.C13H10ClN.C13H11NO.C13H16O.C13H12O.2C12H10OS.C12H12O.C11H16/c1-10-3-5-15-12(7-10)9-14(17)13-8-11(2)4-6-16(13)18-15;1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17;1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12;1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-8-2-4-10-11-7-9(14)3-5-12(11)15-13(10)6-8;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14;1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9(2)8-11-6-4-10(3)5-7-11/h3-8H,9H2,1-2H3;2-9H,10H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-7,15H,1H3;2-7H,8H2,1H3;5-8,12H,2-4,9H2,1H3;2-10H,1H3;2*2-8H,1H3;3-8H,1-2H3;4-7,9H,8H2,1-3H3/b;;;13-10+;;;;;;;;.
What are the key properties of 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?
6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone has a molecular weight of 2368.55 g/mol, XLogP of 40.73, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 161129821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).