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

C16H16O3 — CID 10923143

IUPAC3,4-bis(4-hydroxyphenyl)butan-2-one
SMILESCC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-11(17)16(13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,16,18-19H,10H2,1H3
InChIKeySSYAINNHVLTWEY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.01
Rot. Bonds4

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

3,4-bis(4-hydroxyphenyl)butan-2-one (PubChem CID 10923143) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,4-bis(4-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name3,4-bis(4-hydroxyphenyl)butan-2-one
PubChem CID10923143
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3,4-bis(4-hydroxyphenyl)butan-2-one
SMILESCC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-11(17)16(13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,16,18-19H,10H2,1H3
InChIKeySSYAINNHVLTWEY-UHFFFAOYSA-N
XLogP3.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-hydroxyphenyl)butan-2-one?
The IUPAC name of 3,4-bis(4-hydroxyphenyl)butan-2-one (CID 10923143) is 3,4-bis(4-hydroxyphenyl)butan-2-one.
What is the SMILES notation for 3,4-bis(4-hydroxyphenyl)butan-2-one?
The canonical SMILES for 3,4-bis(4-hydroxyphenyl)butan-2-one is CC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 3,4-bis(4-hydroxyphenyl)butan-2-one?
The InChIKey is SSYAINNHVLTWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(17)16(13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,16,18-19H,10H2,1H3.
What are the key properties of 3,4-bis(4-hydroxyphenyl)butan-2-one?
3,4-bis(4-hydroxyphenyl)butan-2-one has a molecular weight of 256.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 10923143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).