1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone

C16H16O4 — CID 58402413

IUPAC1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(CO)cc1)c1ccc(CO)cc1O
InChIInChI=1S/C16H16O4/c17-9-12-3-1-11(2-4-12)7-15(19)14-6-5-13(10-18)8-16(14)20/h1-6,8,17-18,20H,7,9-10H2
InChIKeyUSVRHNDOXLFQCI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone

1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 58402413) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID58402413
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(CO)cc1)c1ccc(CO)cc1O
InChIInChI=1S/C16H16O4/c17-9-12-3-1-11(2-4-12)7-15(19)14-6-5-13(10-18)8-16(14)20/h1-6,8,17-18,20H,7,9-10H2
InChIKeyUSVRHNDOXLFQCI-UHFFFAOYSA-N
XLogP1.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 58402413) is 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone is O=C(Cc1ccc(CO)cc1)c1ccc(CO)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is USVRHNDOXLFQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-9-12-3-1-11(2-4-12)7-15(19)14-6-5-13(10-18)8-16(14)20/h1-6,8,17-18,20H,7,9-10H2.
What are the key properties of 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 272.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 58402413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).