8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one

C15H11ClO2 — CID 23344333

IUPAC8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCCc2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C15H11ClO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2
InChIKeyBLRWMEMQWDIBOQ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.72
Rot. Bonds1

About 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one

8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one (PubChem CID 23344333) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
PubChem CID23344333
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCCc2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C15H11ClO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2
InChIKeyBLRWMEMQWDIBOQ-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one (CID 23344333) is 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one is O=C1OCCc2cccc(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is BLRWMEMQWDIBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2.
What are the key properties of 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one?
8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 258.70 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 23344333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).