3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one

C16H16O4 — CID 66689766

IUPAC3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one
SMILESO=C(Cc1ccc(O)cc1)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15,17-19H,9-10H2
InChIKeyGHFNRZWUUPDAKZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.81
Rot. Bonds5

About 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one

3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one (PubChem CID 66689766) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one
PubChem CID66689766
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one
SMILESO=C(Cc1ccc(O)cc1)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15,17-19H,9-10H2
InChIKeyGHFNRZWUUPDAKZ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one?
The IUPAC name of 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one (CID 66689766) is 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one.
What is the SMILES notation for 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one?
The canonical SMILES for 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one is O=C(Cc1ccc(O)cc1)C(O)Cc1ccc(O)cc1.
What is the InChIKey of 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one?
The InChIKey is GHFNRZWUUPDAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15,17-19H,9-10H2.
What are the key properties of 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one?
3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-bis(4-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 66689766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).