7-chloro-3-phenylisochromen-1-one

C15H9ClO2 — CID 62706099

IUPAC7-chloro-3-phenylisochromen-1-one
SMILESO=c1oc(-c2ccccc2)cc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClO2/c16-12-7-6-11-8-14(10-4-2-1-3-5-10)18-15(17)13(11)9-12/h1-9H
InChIKeyXBISTANYBVKPSX-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.11
Rot. Bonds1

About 7-chloro-3-phenylisochromen-1-one

7-chloro-3-phenylisochromen-1-one (PubChem CID 62706099) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 7-chloro-3-phenylisochromen-1-one.

Molecular Properties

Compound Name7-chloro-3-phenylisochromen-1-one
PubChem CID62706099
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name7-chloro-3-phenylisochromen-1-one
SMILESO=c1oc(-c2ccccc2)cc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClO2/c16-12-7-6-11-8-14(10-4-2-1-3-5-10)18-15(17)13(11)9-12/h1-9H
InChIKeyXBISTANYBVKPSX-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 7-chloro-3-phenylisochromen-1-one?
The IUPAC name of 7-chloro-3-phenylisochromen-1-one (CID 62706099) is 7-chloro-3-phenylisochromen-1-one.
What is the SMILES notation for 7-chloro-3-phenylisochromen-1-one?
The canonical SMILES for 7-chloro-3-phenylisochromen-1-one is O=c1oc(-c2ccccc2)cc2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-3-phenylisochromen-1-one?
The InChIKey is XBISTANYBVKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-12-7-6-11-8-14(10-4-2-1-3-5-10)18-15(17)13(11)9-12/h1-9H.
What are the key properties of 7-chloro-3-phenylisochromen-1-one?
7-chloro-3-phenylisochromen-1-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 7-chloro-3-phenylisochromen-1-one is sourced from PubChem (CID 62706099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).