(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one

C16H14O3 — CID 102020690

IUPAC(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C16H14O3/c1-11(14-8-7-13(17)10-16(14)19)9-15(18)12-5-3-2-4-6-12/h2-10,17,19H,1H3/b11-9-
InChIKeyWKJFAIHLJQSSTG-LUAWRHEFSA-N
MW254.28 g/mol
LogP3.38
Rot. Bonds3

About (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one

(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one (PubChem CID 102020690) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one
PubChem CID102020690
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C16H14O3/c1-11(14-8-7-13(17)10-16(14)19)9-15(18)12-5-3-2-4-6-12/h2-10,17,19H,1H3/b11-9-
InChIKeyWKJFAIHLJQSSTG-LUAWRHEFSA-N
XLogP3.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one?
The IUPAC name of (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one (CID 102020690) is (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one?
The canonical SMILES for (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one is C/C(=C/C(=O)c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one?
The InChIKey is WKJFAIHLJQSSTG-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(14-8-7-13(17)10-16(14)19)9-15(18)12-5-3-2-4-6-12/h2-10,17,19H,1H3/b11-9-.
What are the key properties of (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one?
(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one is sourced from PubChem (CID 102020690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).