(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one

C20H18O4 — CID 73348983

IUPAC(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(C(=O)/C=C/c1ccccc1OC)CO2
InChIInChI=1S/C20H18O4/c1-22-17-8-10-20-15(12-17)11-16(13-24-20)18(21)9-7-14-5-3-4-6-19(14)23-2/h3-12H,13H2,1-2H3/b9-7+
InChIKeyWSAPBDNKEQQMIU-VQHVLOKHSA-N
MW322.36 g/mol
LogP3.76
Rot. Bonds5

About (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one

(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 73348983) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID73348983
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(C(=O)/C=C/c1ccccc1OC)CO2
InChIInChI=1S/C20H18O4/c1-22-17-8-10-20-15(12-17)11-16(13-24-20)18(21)9-7-14-5-3-4-6-19(14)23-2/h3-12H,13H2,1-2H3/b9-7+
InChIKeyWSAPBDNKEQQMIU-VQHVLOKHSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxyflavone
CID 147157
3-Hydroxy-3'-methoxyflavone
CID 676296
2-Methoxyxanthone
CID 71034
3'-Methoxyflavone
CID 619834
6-Methoxycoumarin
CID 11240776
6,3'-Dimethoxyflavone
CID 676293
6,4'-Dimethoxyflavone
CID 688670
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
CID 40956
(1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one
CID 830608
6-methoxy-2-oxo-2H-chromene-3-carboxylic acid
CID 711717
3,6-Dimethoxyflavone
CID 676292
6-Methoxy-4-methylcoumarin
CID 223821

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one (CID 73348983) is (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccc2c(c1)C=C(C(=O)/C=C/c1ccccc1OC)CO2.
What is the InChIKey of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is WSAPBDNKEQQMIU-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-17-8-10-20-15(12-17)11-16(13-24-20)18(21)9-7-14-5-3-4-6-19(14)23-2/h3-12H,13H2,1-2H3/b9-7+.
What are the key properties of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 322.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 73348983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).