6-chloro-4-phenylchromen-2-one

C15H9ClO2 — CID 46919141

IUPAC6-chloro-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(Cl)ccc2o1
InChIInChI=1S/C15H9ClO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeySBBCYRBHXPXNBP-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.11
Rot. Bonds1

About 6-chloro-4-phenylchromen-2-one

6-chloro-4-phenylchromen-2-one (PubChem CID 46919141) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-4-phenylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-phenylchromen-2-one
PubChem CID46919141
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name6-chloro-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(Cl)ccc2o1
InChIInChI=1S/C15H9ClO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeySBBCYRBHXPXNBP-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenylchromen-2-one?
The IUPAC name of 6-chloro-4-phenylchromen-2-one (CID 46919141) is 6-chloro-4-phenylchromen-2-one.
What is the SMILES notation for 6-chloro-4-phenylchromen-2-one?
The canonical SMILES for 6-chloro-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-4-phenylchromen-2-one?
The InChIKey is SBBCYRBHXPXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-4-phenylchromen-2-one?
6-chloro-4-phenylchromen-2-one has a molecular weight of 256.69 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenylchromen-2-one is sourced from PubChem (CID 46919141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).