(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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Related Compounds

(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25243927
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
2,4-dihydroxybenzoic acid
CID 1491
3-(2-hydroxy-4-methylphenyl)but-2-enoic acid
CID 130606734
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
benzene-1,2,4-triol;benzoic acid
CID 161265651
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
1,2-bis(2,4-dihydroxyphenyl)-2-hydroxy-3-phenylpropane-1,3-dione
CID 68559411
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium
CID 135473696

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).