(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one

C16H14O5 — CID 44613798

IUPAC(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCOc1c(O)ccc(C(=O)/C=C/c2cccc(O)c2)c1O
InChIInChI=1S/C16H14O5/c1-21-16-14(19)8-6-12(15(16)20)13(18)7-5-10-3-2-4-11(17)9-10/h2-9,17,19-20H,1H3/b7-5+
InChIKeyVGYDKEGRECNTNL-FNORWQNLSA-N
MW286.28 g/mol
LogP2.71
Rot. Bonds4

About (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 44613798) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID44613798
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCOc1c(O)ccc(C(=O)/C=C/c2cccc(O)c2)c1O
InChIInChI=1S/C16H14O5/c1-21-16-14(19)8-6-12(15(16)20)13(18)7-5-10-3-2-4-11(17)9-10/h2-9,17,19-20H,1H3/b7-5+
InChIKeyVGYDKEGRECNTNL-FNORWQNLSA-N
XLogP2.71
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529821
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
1-(5-bromo-2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 154371674
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
1-(2,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 3981090
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 101389941
1-(2,4-dimethoxyphenyl)-3-[3-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 4203282
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
(E)-1-(2,4-dimethoxyphenyl)-3-[3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 6035620

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 44613798) is (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is COc1c(O)ccc(C(=O)/C=C/c2cccc(O)c2)c1O.
What is the InChIKey of (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is VGYDKEGRECNTNL-FNORWQNLSA-N. The full InChI is InChI=1S/C16H14O5/c1-21-16-14(19)8-6-12(15(16)20)13(18)7-5-10-3-2-4-11(17)9-10/h2-9,17,19-20H,1H3/b7-5+.
What are the key properties of (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 286.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 44613798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).