3-[(4-methoxyindol-1-yl)methyl]phenol

C16H15NO2 — CID 83173528

IUPAC3-[(4-methoxyindol-1-yl)methyl]phenol
SMILESCOc1cccc2c1ccn2Cc1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-19-16-7-3-6-15-14(16)8-9-17(15)11-12-4-2-5-13(18)10-12/h2-10,18H,11H2,1H3
InChIKeyUHYGGOADCRAMRE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.40
Rot. Bonds3

About 3-[(4-methoxyindol-1-yl)methyl]phenol

3-[(4-methoxyindol-1-yl)methyl]phenol (PubChem CID 83173528) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(4-methoxyindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-methoxyindol-1-yl)methyl]phenol
PubChem CID83173528
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[(4-methoxyindol-1-yl)methyl]phenol
SMILESCOc1cccc2c1ccn2Cc1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-19-16-7-3-6-15-14(16)8-9-17(15)11-12-4-2-5-13(18)10-12/h2-10,18H,11H2,1H3
InChIKeyUHYGGOADCRAMRE-UHFFFAOYSA-N
XLogP3.40
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
1-[(E)-but-2-enyl]-4-methoxyindole
CID 83173712
1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
CID 110831380

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyindol-1-yl)methyl]phenol?
The IUPAC name of 3-[(4-methoxyindol-1-yl)methyl]phenol (CID 83173528) is 3-[(4-methoxyindol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-methoxyindol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(4-methoxyindol-1-yl)methyl]phenol is COc1cccc2c1ccn2Cc1cccc(O)c1.
What is the InChIKey of 3-[(4-methoxyindol-1-yl)methyl]phenol?
The InChIKey is UHYGGOADCRAMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16-7-3-6-15-14(16)8-9-17(15)11-12-4-2-5-13(18)10-12/h2-10,18H,11H2,1H3.
What are the key properties of 3-[(4-methoxyindol-1-yl)methyl]phenol?
3-[(4-methoxyindol-1-yl)methyl]phenol has a molecular weight of 253.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyindol-1-yl)methyl]phenol is sourced from PubChem (CID 83173528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).