1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol

C24H27NO — CID 142999777

IUPAC1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
SMILESC=C(O)c1ccc2c(C3CCCCCC3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C24H27NO/c1-17(26)20-14-15-21-22(16-20)25(2)24(19-12-8-5-9-13-19)23(21)18-10-6-3-4-7-11-18/h5,8-9,12-16,18,26H,1,3-4,6-7,10-11H2,2H3
InChIKeySUAYKVOYQYSMBA-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.81
Rot. Bonds3

About 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol

1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol (PubChem CID 142999777) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol.

Molecular Properties

Compound Name1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
PubChem CID142999777
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
SMILESC=C(O)c1ccc2c(C3CCCCCC3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C24H27NO/c1-17(26)20-14-15-21-22(16-20)25(2)24(19-12-8-5-9-13-19)23(21)18-10-6-3-4-7-11-18/h5,8-9,12-16,18,26H,1,3-4,6-7,10-11H2,2H3
InChIKeySUAYKVOYQYSMBA-UHFFFAOYSA-N
XLogP6.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
CID 71501908
3-cyclohexyl-1-[2-(ethenylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 11211801
3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
CID 71501727
3-cyclohexyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 69441984
3-cyclohexyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylindole-6-carboxylic acid
CID 58923486
3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
CID 11246698
3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 11178349
ethane;methyl 3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 142207585
1-[2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;ethane
CID 143166821
2-bromoprop-1-ene;methyl 3-cyclopentyl-1,2-dimethylindole-6-carboxylate
CID 123693531
3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
CID 58745699

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol?
The IUPAC name of 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol (CID 142999777) is 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol.
What is the SMILES notation for 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol?
The canonical SMILES for 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol is C=C(O)c1ccc2c(C3CCCCCC3)c(-c3ccccc3)n(C)c2c1.
What is the InChIKey of 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol?
The InChIKey is SUAYKVOYQYSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-17(26)20-14-15-21-22(16-20)25(2)24(19-12-8-5-9-13-19)23(21)18-10-6-3-4-7-11-18/h5,8-9,12-16,18,26H,1,3-4,6-7,10-11H2,2H3.
What are the key properties of 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol?
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol has a molecular weight of 345.49 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol is sourced from PubChem (CID 142999777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).