(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one

C17H16O4 — CID 46224960

IUPAC(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one
SMILESCOc1cc(O)cc(O)c1C(=O)/C=C/Cc1ccccc1
InChIInChI=1S/C17H16O4/c1-21-16-11-13(18)10-15(20)17(16)14(19)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,18,20H,8H2,1H3/b9-5+
InChIKeyDKXSBVWQXMIQHQ-WEVVVXLNSA-N
MW284.31 g/mol
LogP3.09
Rot. Bonds5

About (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one

(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one (PubChem CID 46224960) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one
PubChem CID46224960
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one
SMILESCOc1cc(O)cc(O)c1C(=O)/C=C/Cc1ccccc1
InChIInChI=1S/C17H16O4/c1-21-16-11-13(18)10-15(20)17(16)14(19)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,18,20H,8H2,1H3/b9-5+
InChIKeyDKXSBVWQXMIQHQ-WEVVVXLNSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174140193
CID 174140193
3-(4-chlorophenyl)-1-(2,4-dihydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 67218270
3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 67345734
3-(2-ethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 162819524
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)prop-2-en-1-one
CID 71735015
benzyl 4-hydroxy-2-methoxy-6-pentylbenzoate
CID 11088753
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 143913926
2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-(3-phenylprop-1-enyl)benzoic acid
CID 123629568

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one (CID 46224960) is (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one is COc1cc(O)cc(O)c1C(=O)/C=C/Cc1ccccc1.
What is the InChIKey of (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one?
The InChIKey is DKXSBVWQXMIQHQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H16O4/c1-21-16-11-13(18)10-15(20)17(16)14(19)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,18,20H,8H2,1H3/b9-5+.
What are the key properties of (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one?
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one has a molecular weight of 284.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one is sourced from PubChem (CID 46224960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).