4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol

C16H15NO2 — CID 102913078

IUPAC4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
SMILESOCc1ccc2ccn(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H15NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,18-19H,10-11H2
InChIKeyVZPGDSPNABXIEE-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.89
Rot. Bonds3

About 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol

4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol (PubChem CID 102913078) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
PubChem CID102913078
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
SMILESOCc1ccc2ccn(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H15NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,18-19H,10-11H2
InChIKeyVZPGDSPNABXIEE-UHFFFAOYSA-N
XLogP2.89
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
3-[[6-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102913186
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
CID 102913155
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol?
The IUPAC name of 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol (CID 102913078) is 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol is OCc1ccc2ccn(Cc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol?
The InChIKey is VZPGDSPNABXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,18-19H,10-11H2.
What are the key properties of 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol?
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol has a molecular weight of 253.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol is sourced from PubChem (CID 102913078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).