4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one

C19H14O4 — CID 147240010

IUPAC4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
SMILESCOc1c(C(=O)/C=C/c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C19H14O4/c1-22-18-14-9-5-6-10-16(14)23-19(21)17(18)15(20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeyCKOSYZBXEXKGCE-VAWYXSNFSA-N
MW306.32 g/mol
LogP3.70
Rot. Bonds4

About 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one

4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one (PubChem CID 147240010) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one.

Molecular Properties

Compound Name4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
PubChem CID147240010
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
SMILESCOc1c(C(=O)/C=C/c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C19H14O4/c1-22-18-14-9-5-6-10-16(14)23-19(21)17(18)15(20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeyCKOSYZBXEXKGCE-VAWYXSNFSA-N
XLogP3.70
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715
(E)-1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 132536610
3-[(E)-3-(3-ethoxyphenyl)prop-2-enoyl]-4-hydroxychromen-2-one
CID 54684783
[2-oxo-3-[(E)-3-(2-oxochromen-3-yl)prop-2-enoyl]chromen-4-yl] acetate
CID 142097998
4-(diethylamino)-3-[3-[4-(diethylamino)phenyl]prop-2-enoyl]chromen-2-one
CID 54079008
4,6-dimethyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
CID 59255535
4-hydroxy-3-[(Z)-3-(4-pentoxyphenyl)prop-2-enoyl]chromen-2-one
CID 98365776
2-(4-methoxy-2-oxochromen-3-yl)acetic acid
CID 90279946
(Z)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529712
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 7152435
(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529821
4-hydroxy-3-[(E)-3-[3-(isocyanomethoxy)phenyl]prop-2-enoyl]chromen-2-one
CID 59008832

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one?
The IUPAC name of 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one (CID 147240010) is 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one.
What is the SMILES notation for 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one?
The canonical SMILES for 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one is COc1c(C(=O)/C=C/c2ccccc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one?
The InChIKey is CKOSYZBXEXKGCE-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-18-14-9-5-6-10-16(14)23-19(21)17(18)15(20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+.
What are the key properties of 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one?
4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one is sourced from PubChem (CID 147240010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).