2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene

C65H105NO4S — CID 167623207

IUPAC2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1cccs1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1CO.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C11H16O2.C11H16.C10H14.C8H12O.C7H11N.C7H10O.C7H10S.4CH4/c1-8(2)9-5-4-6-11(13-3)10(9)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*1H4
InChIKeyMSPRUOFIZLNOHK-UHFFFAOYSA-N
MW996.63 g/mol
LogP21.06
Rot. Bonds11

About 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene

2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene (PubChem CID 167623207) has the molecular formula C65H105NO4S and a molecular weight of 996.63 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
PubChem CID167623207
Molecular FormulaC65H105NO4S
Molecular Weight996.63 g/mol
Exact Mass995.78
IUPAC Name2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1cccs1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1CO.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C11H16O2.C11H16.C10H14.C8H12O.C7H11N.C7H10O.C7H10S.4CH4/c1-8(2)9-5-4-6-11(13-3)10(9)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*1H4
InChIKeyMSPRUOFIZLNOHK-UHFFFAOYSA-N
XLogP21.06
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.63
LogP ≤ 521.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene with MolForge

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Related Compounds

4-[3-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-2-oxo-1-(1H-pyrrol-2-yl)ethyl]-4-propoxyphenyl]thiophene-2-carboxylic acid
CID 91441988
8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;3-(1-methoxy-3-phenylpropan-2-yl)-8-methyl-2H-1,3-benzoxazin-3-ium;2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-1,1,3-triphenylpropan-1-ol;3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-prop-1-en-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-prop-2-enyl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
CID 159834342
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole
CID 141058588
1-[4-[5-(2-Hydroxypentyl)-4-[2-(2-hydroxypentyl)-4-pyridinyl]-1-benzofuran-7-yl]-1-benzothiophen-5-yl]pentan-2-ol
CID 143267636
(2S)-1-[7-[5-(2-hydroxybutyl)-1-benzothiophen-4-yl]-4-[2-(2-hydroxypentyl)-4-pyridinyl]-1-benzofuran-5-yl]pentan-2-ol
CID 143267775
2-[[7-[5-(2-Hydroxypentyl)-1-benzothiophen-4-yl]-4-[2-(2-hydroxypentyl)-4-pyridinyl]-1-benzofuran-5-yl]methyl]pentan-1-ol
CID 143267776
4-(1-benzofuran-4-yl)-7-(2-benzothiophen-4-yl)-2H-isoindole
CID 145202009
2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate
CID 157198759
1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
CID 157358136
2-[4-[3,5-bis[4-(furan-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]furan;1-[4-[3,5-bis(4-pyrrol-1-ylthiophen-3-yl)phenyl]thiophen-3-yl]pyrrole;2-[4-[3,5-bis[4-(1H-pyrrol-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1H-pyrrole;3-[3,5-bis(4-thiophen-3-ylthiophen-3-yl)phenyl]-4-thiophen-3-ylthiophene
CID 157582055

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene (CID 167623207) is 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene is C.C.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1cccs1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1CO.Cc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The InChIKey is MSPRUOFIZLNOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C11H16.C10H14.C8H12O.C7H11N.C7H10O.C7H10S.4CH4/c1-8(2)9-5-4-6-11(13-3)10(9)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;;;;/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*1H4.
What are the key properties of 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene has a molecular weight of 996.63 g/mol, XLogP of 21.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylbenzene;methane;(2-methoxy-6-propan-2-ylphenyl)methanol;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene is sourced from PubChem (CID 167623207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).