1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

C16H14O4 — CID 53405565

IUPAC1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C=CC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C16H14O4/c1-20-13-4-2-3-11(9-13)5-8-15(18)14-7-6-12(17)10-16(14)19/h2-10,17,19H,1H3
InChIKeyAACDPQIFRBEZFP-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 53405565) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID53405565
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C=CC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C16H14O4/c1-20-13-4-2-3-11(9-13)5-8-15(18)14-7-6-12(17)10-16(14)19/h2-10,17,19H,1H3
InChIKeyAACDPQIFRBEZFP-UHFFFAOYSA-N
XLogP3.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.00
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

3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 74327076
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738422
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
(Z)-1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 92908968
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 146223481
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 101389941
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
(1E,4E,6E)-7-(3-hydroxyphenyl)-1-(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 90682173
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (CID 53405565) is 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(C=CC(=O)c2ccc(O)cc2O)c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is AACDPQIFRBEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-13-4-2-3-11(9-13)5-8-15(18)14-7-6-12(17)10-16(14)19/h2-10,17,19H,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 270.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 53405565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).