1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one

C23H14ClNO2 — CID 14788083

IUPAC1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C23H14ClNO2/c24-16-9-6-10-17(13-16)25-14-19(15-7-2-1-3-8-15)21-22(25)18-11-4-5-12-20(18)27-23(21)26/h1-14H
InChIKeyHFLUBPNFCHKXGY-UHFFFAOYSA-N
MW371.82 g/mol
LogP6.06
Rot. Bonds2

About 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one

1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one (PubChem CID 14788083) has the molecular formula C23H14ClNO2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one
PubChem CID14788083
Molecular FormulaC23H14ClNO2
Molecular Weight371.82 g/mol
Exact Mass371.07
IUPAC Name1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C23H14ClNO2/c24-16-9-6-10-17(13-16)25-14-19(15-7-2-1-3-8-15)21-22(25)18-11-4-5-12-20(18)27-23(21)26/h1-14H
InChIKeyHFLUBPNFCHKXGY-UHFFFAOYSA-N
XLogP6.06
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one (CID 14788083) is 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one is O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one?
The InChIKey is HFLUBPNFCHKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO2/c24-16-9-6-10-17(13-16)25-14-19(15-7-2-1-3-8-15)21-22(25)18-11-4-5-12-20(18)27-23(21)26/h1-14H.
What are the key properties of 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one?
1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one has a molecular weight of 371.82 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 14788083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).