3-chloro-2-phenylchromen-4-one

C15H9ClO2 — CID 736736

IUPAC3-chloro-2-phenylchromen-4-one
SMILESO=c1c(Cl)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyFHXDSQYFCFWKAW-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.11
Rot. Bonds1

About 3-chloro-2-phenylchromen-4-one

3-chloro-2-phenylchromen-4-one (PubChem CID 736736) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-chloro-2-phenylchromen-4-one
PubChem CID736736
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name3-chloro-2-phenylchromen-4-one
SMILESO=c1c(Cl)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyFHXDSQYFCFWKAW-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylchromen-4-one?
The IUPAC name of 3-chloro-2-phenylchromen-4-one (CID 736736) is 3-chloro-2-phenylchromen-4-one.
What is the SMILES notation for 3-chloro-2-phenylchromen-4-one?
The canonical SMILES for 3-chloro-2-phenylchromen-4-one is O=c1c(Cl)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-chloro-2-phenylchromen-4-one?
The InChIKey is FHXDSQYFCFWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-chloro-2-phenylchromen-4-one?
3-chloro-2-phenylchromen-4-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 3-chloro-2-phenylchromen-4-one is sourced from PubChem (CID 736736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).