4-[(2-methyl-1H-indol-3-yl)methyl]phenol

C16H15NO — CID 21239687

IUPAC4-[(2-methyl-1H-indol-3-yl)methyl]phenol
SMILESCc1[nH]c2ccccc2c1Cc1ccc(O)cc1
InChIInChI=1S/C16H15NO/c1-11-15(10-12-6-8-13(18)9-7-12)14-4-2-3-5-16(14)17-11/h2-9,17-18H,10H2,1H3
InChIKeyCCHFDJGQFBOEFH-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.77
Rot. Bonds2

About 4-[(2-methyl-1H-indol-3-yl)methyl]phenol

4-[(2-methyl-1H-indol-3-yl)methyl]phenol (PubChem CID 21239687) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-3-yl)methyl]phenol
PubChem CID21239687
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-[(2-methyl-1H-indol-3-yl)methyl]phenol
SMILESCc1[nH]c2ccccc2c1Cc1ccc(O)cc1
InChIInChI=1S/C16H15NO/c1-11-15(10-12-6-8-13(18)9-7-12)14-4-2-3-5-16(14)17-11/h2-9,17-18H,10H2,1H3
InChIKeyCCHFDJGQFBOEFH-UHFFFAOYSA-N
XLogP3.77
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide
CID 144880058
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
3-[(4-methylphenyl)methyl]-1H-indole-2-thiol
CID 54671702
2-(3-benzyl-2-methyl-1H-indol-6-yl)-2-(4-hydroxyphenyl)-2-(4-methylphenyl)acetonitrile
CID 171781203
5-[(2-methyl-1H-indol-3-yl)methyl]-1H-pyrazole-4-carbaldehyde
CID 82388352
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]phenol?
The IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]phenol (CID 21239687) is 4-[(2-methyl-1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-methyl-1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 4-[(2-methyl-1H-indol-3-yl)methyl]phenol is Cc1[nH]c2ccccc2c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-methyl-1H-indol-3-yl)methyl]phenol?
The InChIKey is CCHFDJGQFBOEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-15(10-12-6-8-13(18)9-7-12)14-4-2-3-5-16(14)17-11/h2-9,17-18H,10H2,1H3.
What are the key properties of 4-[(2-methyl-1H-indol-3-yl)methyl]phenol?
4-[(2-methyl-1H-indol-3-yl)methyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 21239687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).