3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one

C24H16ClNO2 — CID 5285743

IUPAC3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C24H16ClNO2/c25-22-9-3-1-6-18(22)8-5-15-26-20-13-11-17(12-14-20)21-16-19-7-2-4-10-23(19)28-24(21)27/h1-16H/b8-5+,26-15+
InChIKeyUAVVTYYLWBWDCD-GUFLCCFCSA-N
MW385.85 g/mol
LogP6.53
Rot. Bonds4

About 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one

3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one (PubChem CID 5285743) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
PubChem CID5285743
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C24H16ClNO2/c25-22-9-3-1-6-18(22)8-5-15-26-20-13-11-17(12-14-20)21-16-19-7-2-4-10-23(19)28-24(21)27/h1-16H/b8-5+,26-15+
InChIKeyUAVVTYYLWBWDCD-GUFLCCFCSA-N
XLogP6.53
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one?
The IUPAC name of 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one (CID 5285743) is 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one.
What is the SMILES notation for 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one?
The canonical SMILES for 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one is O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one?
The InChIKey is UAVVTYYLWBWDCD-GUFLCCFCSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-22-9-3-1-6-18(22)8-5-15-26-20-13-11-17(12-14-20)21-16-19-7-2-4-10-23(19)28-24(21)27/h1-16H/b8-5+,26-15+.
What are the key properties of 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one?
3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one has a molecular weight of 385.85 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one is sourced from PubChem (CID 5285743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).