[1-[(4-methylphenyl)methyl]indol-3-yl]methanol

C17H17NO — CID 900428

IUPAC[1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C17H17NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11,19H,10,12H2,1H3
InChIKeyZRWCGJOQBCKMTO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]indol-3-yl]methanol

[1-[(4-methylphenyl)methyl]indol-3-yl]methanol (PubChem CID 900428) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]indol-3-yl]methanol
PubChem CID900428
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C17H17NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11,19H,10,12H2,1H3
InChIKeyZRWCGJOQBCKMTO-UHFFFAOYSA-N
XLogP3.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3712
N-methoxyindole-3-carbinol
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Flutroline
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(1-methyl-1H-indol-4-yl)methanol
CID 17608739
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CID 80479
1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol
CID 44404886
Indole, 14
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4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol
CID 9796492
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]indol-3-yl]methanol (CID 900428) is [1-[(4-methylphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]indol-3-yl]methanol is Cc1ccc(Cn2cc(CO)c3ccccc32)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The InChIKey is ZRWCGJOQBCKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11,19H,10,12H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
[1-[(4-methylphenyl)methyl]indol-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 900428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).