2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol

C15H16O3 — CID 12747140

IUPAC2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
SMILESOCc1c(O)cccc1CC(O)c1ccccc1
InChIInChI=1S/C15H16O3/c16-10-13-12(7-4-8-14(13)17)9-15(18)11-5-2-1-3-6-11/h1-8,15-18H,9-10H2
InChIKeyVFFGJOXVIDZMEW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.16
Rot. Bonds4

About 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol

2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol (PubChem CID 12747140) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
PubChem CID12747140
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
SMILESOCc1c(O)cccc1CC(O)c1ccccc1
InChIInChI=1S/C15H16O3/c16-10-13-12(7-4-8-14(13)17)9-15(18)11-5-2-1-3-6-11/h1-8,15-18H,9-10H2
InChIKeyVFFGJOXVIDZMEW-UHFFFAOYSA-N
XLogP2.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol?
The IUPAC name of 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol (CID 12747140) is 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol?
The canonical SMILES for 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol is OCc1c(O)cccc1CC(O)c1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol?
The InChIKey is VFFGJOXVIDZMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-10-13-12(7-4-8-14(13)17)9-15(18)11-5-2-1-3-6-11/h1-8,15-18H,9-10H2.
What are the key properties of 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol?
2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol has a molecular weight of 244.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol is sourced from PubChem (CID 12747140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).