8-(3-phenylprop-2-enoyl)chromen-2-one

C18H12O3 — CID 171390709

IUPAC8-(3-phenylprop-2-enoyl)chromen-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc2ccc(=O)oc12
InChIInChI=1S/C18H12O3/c19-16(11-9-13-5-2-1-3-6-13)15-8-4-7-14-10-12-17(20)21-18(14)15/h1-12H
InChIKeyONAOKRZKHLYLKB-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.69
Rot. Bonds3

About 8-(3-phenylprop-2-enoyl)chromen-2-one

8-(3-phenylprop-2-enoyl)chromen-2-one (PubChem CID 171390709) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-(3-phenylprop-2-enoyl)chromen-2-one.

Molecular Properties

Compound Name8-(3-phenylprop-2-enoyl)chromen-2-one
PubChem CID171390709
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name8-(3-phenylprop-2-enoyl)chromen-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc2ccc(=O)oc12
InChIInChI=1S/C18H12O3/c19-16(11-9-13-5-2-1-3-6-13)15-8-4-7-14-10-12-17(20)21-18(14)15/h1-12H
InChIKeyONAOKRZKHLYLKB-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
7-hydroxy-8-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]chromen-2-one
CID 10979753
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
CID 8830594
4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 11359948
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
CID 67043114
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
azane;3-phenylprop-2-enoic acid
CID 66894546
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 175290559

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylprop-2-enoyl)chromen-2-one?
The IUPAC name of 8-(3-phenylprop-2-enoyl)chromen-2-one (CID 171390709) is 8-(3-phenylprop-2-enoyl)chromen-2-one.
What is the SMILES notation for 8-(3-phenylprop-2-enoyl)chromen-2-one?
The canonical SMILES for 8-(3-phenylprop-2-enoyl)chromen-2-one is O=C(C=Cc1ccccc1)c1cccc2ccc(=O)oc12.
What is the InChIKey of 8-(3-phenylprop-2-enoyl)chromen-2-one?
The InChIKey is ONAOKRZKHLYLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-16(11-9-13-5-2-1-3-6-13)15-8-4-7-14-10-12-17(20)21-18(14)15/h1-12H.
What are the key properties of 8-(3-phenylprop-2-enoyl)chromen-2-one?
8-(3-phenylprop-2-enoyl)chromen-2-one has a molecular weight of 276.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylprop-2-enoyl)chromen-2-one is sourced from PubChem (CID 171390709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).