2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol

C19H21NO2 — CID 59762275

IUPAC2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(C)O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H21NO2/c1-19(2,21)18-11-15-9-10-16(22-3)12-17(15)20(18)13-14-7-5-4-6-8-14/h4-12,21H,13H2,1-3H3
InChIKeyQGSDWIHNPWYNIC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.93
Rot. Bonds4

About 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol

2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol (PubChem CID 59762275) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
PubChem CID59762275
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(C)O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H21NO2/c1-19(2,21)18-11-15-9-10-16(22-3)12-17(15)20(18)13-14-7-5-4-6-8-14/h4-12,21H,13H2,1-3H3
InChIKeyQGSDWIHNPWYNIC-UHFFFAOYSA-N
XLogP3.93
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
CID 10892626
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
CID 134907072
10-benzyl-3-methoxyacridin-9-one
CID 12751573
(6-methoxy-1-phenylindol-2-yl)methanol
CID 71568063
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
1-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one;hydrobromide
CID 44782319
1-benzyl-2-(5-methoxy-2-pyridinyl)indole
CID 157451859

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol?
The IUPAC name of 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol (CID 59762275) is 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol?
The canonical SMILES for 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol is COc1ccc2cc(C(C)(C)O)n(Cc3ccccc3)c2c1.
What is the InChIKey of 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol?
The InChIKey is QGSDWIHNPWYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,21)18-11-15-9-10-16(22-3)12-17(15)20(18)13-14-7-5-4-6-8-14/h4-12,21H,13H2,1-3H3.
What are the key properties of 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol?
2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol is sourced from PubChem (CID 59762275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).