3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one

C16H14O3 — CID 67082878

IUPAC3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H14O3/c1-19-14-9-7-13(16(18)11-14)8-10-15(17)12-5-3-2-4-6-12/h2-11,18H,1H3
InChIKeyJWIVHKKACZZAJX-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.30
Rot. Bonds4

About 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one

3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 67082878) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID67082878
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H14O3/c1-19-14-9-7-13(16(18)11-14)8-10-15(17)12-5-3-2-4-6-12/h2-11,18H,1H3
InChIKeyJWIVHKKACZZAJX-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one
CID 127037969
(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 89317529
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
3-[2-hydroxy-4-(3-methylbut-1-enoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 156775000
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018
3-(3,4-dihydroxy-2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 137379047
3-(5-hydroxy-2,3,4-trimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 141120991
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
CID 172832773

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one (CID 67082878) is 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one is COc1ccc(C=CC(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is JWIVHKKACZZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-14-9-7-13(16(18)11-14)8-10-15(17)12-5-3-2-4-6-12/h2-11,18H,1H3.
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one?
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 67082878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).