(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one

C19H20O5 — CID 10131464

IUPAC(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)cc(C(=O)/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H20O5/c1-21-15-7-5-13(19(12-15)24-4)6-8-18(20)14-9-16(22-2)11-17(10-14)23-3/h5-12H,1-4H3/b8-6+
InChIKeyPYVRKLAORMQZAB-SOFGYWHQSA-N
MW328.36 g/mol
LogP3.62
Rot. Bonds7

About (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one

(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 10131464) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
PubChem CID10131464
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)cc(C(=O)/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H20O5/c1-21-15-7-5-13(19(12-15)24-4)6-8-18(20)14-9-16(22-2)11-17(10-14)23-3/h5-12H,1-4H3/b8-6+
InChIKeyPYVRKLAORMQZAB-SOFGYWHQSA-N
XLogP3.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557240
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
CID 3526790
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 71935173
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 70016951
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827183
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one (CID 10131464) is (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one is COc1cc(OC)cc(C(=O)/C=C/c2ccc(OC)cc2OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is PYVRKLAORMQZAB-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-15-7-5-13(19(12-15)24-4)6-8-18(20)14-9-16(22-2)11-17(10-14)23-3/h5-12H,1-4H3/b8-6+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one?
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 328.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10131464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).