(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

C20H18O4 — CID 73352060

IUPAC(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)C2=Cc3cc(OC)ccc3OC2)cc1
InChIInChI=1S/C20H18O4/c1-22-17-6-3-14(4-7-17)5-9-19(21)16-11-15-12-18(23-2)8-10-20(15)24-13-16/h3-12H,13H2,1-2H3/b9-5+
InChIKeyHNLNWTSSUCFMLM-WEVVVXLNSA-N
MW322.36 g/mol
LogP3.76
Rot. Bonds5

About (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 73352060) 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-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID73352060
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)C2=Cc3cc(OC)ccc3OC2)cc1
InChIInChI=1S/C20H18O4/c1-22-17-6-3-14(4-7-17)5-9-19(21)16-11-15-12-18(23-2)8-10-20(15)24-13-16/h3-12H,13H2,1-2H3/b9-5+
InChIKeyHNLNWTSSUCFMLM-WEVVVXLNSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 73352060) is (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)C2=Cc3cc(OC)ccc3OC2)cc1.
What is the InChIKey of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is HNLNWTSSUCFMLM-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-17-6-3-14(4-7-17)5-9-19(21)16-11-15-12-18(23-2)8-10-20(15)24-13-16/h3-12H,13H2,1-2H3/b9-5+.
What are the key properties of (E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(6-methoxy-2H-chromen-3-yl)-3-(4-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-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 73352060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).