(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one

C19H20O4 — CID 134266249

IUPAC(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
SMILESCOc1cc(C)c(/C=C/C(=O)c2ccc(C)cc2O)c(OC)c1
InChIInChI=1S/C19H20O4/c1-12-5-6-16(18(21)9-12)17(20)8-7-15-13(2)10-14(22-3)11-19(15)23-4/h5-11,21H,1-4H3/b8-7+
InChIKeyFBSRBODFBDCZNW-BQYQJAHWSA-N
MW312.37 g/mol
LogP3.92
Rot. Bonds5

About (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one

(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one (PubChem CID 134266249) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
PubChem CID134266249
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
SMILESCOc1cc(C)c(/C=C/C(=O)c2ccc(C)cc2O)c(OC)c1
InChIInChI=1S/C19H20O4/c1-12-5-6-16(18(21)9-12)17(20)8-7-15-13(2)10-14(22-3)11-19(15)23-4/h5-11,21H,1-4H3/b8-7+
InChIKeyFBSRBODFBDCZNW-BQYQJAHWSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 6080180
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-1-(2,5-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 11046554
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1-(4-hydroxy-3-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 85300913
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 74327076
3-(4-methoxy-2,6-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70019176
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
(E)-1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7947875
(Z)-3-(2,6-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 92909351
(Z)-1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 92908968

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one (CID 134266249) is (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one is COc1cc(C)c(/C=C/C(=O)c2ccc(C)cc2O)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The InChIKey is FBSRBODFBDCZNW-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20O4/c1-12-5-6-16(18(21)9-12)17(20)8-7-15-13(2)10-14(22-3)11-19(15)23-4/h5-11,21H,1-4H3/b8-7+.
What are the key properties of (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
(E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one has a molecular weight of 312.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxy-6-methylphenyl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 134266249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).