ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene

C181H205N9O10 — CID 160646557

IUPACethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1.Cc1ccnc(N2CCCCC2)c1
InChIInChI=1S/2C17H20N2O.C15H12.C15H14.C14H14O.C13H13N.C13H14.C11H16N2.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-11H,2H2,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeyRJVYBYGLZKZXCK-UHFFFAOYSA-N
MW2666.68 g/mol
LogP44.05
Rot. Bonds25

About ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene

ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene (PubChem CID 160646557) has the molecular formula C181H205N9O10 and a molecular weight of 2666.68 g/mol. Its IUPAC name is ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene.

Molecular Properties

Compound Nameethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
PubChem CID160646557
Molecular FormulaC181H205N9O10
Molecular Weight2666.68 g/mol
Exact Mass2664.58
IUPAC Nameethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1.Cc1ccnc(N2CCCCC2)c1
InChIInChI=1S/2C17H20N2O.C15H12.C15H14.C14H14O.C13H13N.C13H14.C11H16N2.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-11H,2H2,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeyRJVYBYGLZKZXCK-UHFFFAOYSA-N
XLogP44.05
TPSA204.00 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002666.68
LogP ≤ 544.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The IUPAC name of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene (CID 160646557) is ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene.
What is the SMILES notation for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The canonical SMILES for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene is CC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1.Cc1ccnc(N2CCCCC2)c1.
What is the InChIKey of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The InChIKey is RJVYBYGLZKZXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20N2O.C15H12.C15H14.C14H14O.C13H13N.C13H14.C11H16N2.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-11H,2H2,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3.
What are the key properties of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene has a molecular weight of 2666.68 g/mol, XLogP of 44.05, 25 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene is sourced from PubChem (CID 160646557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).