3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

C24H18O3 — CID 2062832

IUPAC3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
SMILESO=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C24H18O3/c25-24-22(19-11-5-2-6-12-19)16-20-13-14-21(17-23(20)27-24)26-15-7-10-18-8-3-1-4-9-18/h1-14,16-17H,15H2/b10-7+
InChIKeyJEGCVMKSHMLWCH-JXMROGBWSA-N
MW354.41 g/mol
LogP5.55
Rot. Bonds5

About 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one (PubChem CID 2062832) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one.

Molecular Properties

Compound Name3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
PubChem CID2062832
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
SMILESO=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C24H18O3/c25-24-22(19-11-5-2-6-12-19)16-20-13-14-21(17-23(20)27-24)26-15-7-10-18-8-3-1-4-9-18/h1-14,16-17H,15H2/b10-7+
InChIKeyJEGCVMKSHMLWCH-JXMROGBWSA-N
XLogP5.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062762
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-2-one
CID 1424918
7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one
CID 122223923
ethane;[(E)-8-(2-oxo-3-phenylchromen-7-yl)oxyoct-4-enyl] prop-2-enoate
CID 145263388
6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
CID 146412107
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1382977
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The IUPAC name of 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one (CID 2062832) is 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one.
What is the SMILES notation for 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The canonical SMILES for 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one is O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The InChIKey is JEGCVMKSHMLWCH-JXMROGBWSA-N. The full InChI is InChI=1S/C24H18O3/c25-24-22(19-11-5-2-6-12-19)16-20-13-14-21(17-23(20)27-24)26-15-7-10-18-8-3-1-4-9-18/h1-14,16-17H,15H2/b10-7+.
What are the key properties of 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one has a molecular weight of 354.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one is sourced from PubChem (CID 2062832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).