3-(3-chlorophenyl)-2,3-dihydrochromen-4-one

C15H11ClO2 — CID 59356086

IUPAC3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2
InChIKeyOAOQGYBDXHPTKS-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.70
Rot. Bonds1

About 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one

3-(3-chlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 59356086) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID59356086
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2
InChIKeyOAOQGYBDXHPTKS-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one (CID 59356086) is 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is OAOQGYBDXHPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2.
What are the key properties of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
3-(3-chlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 258.70 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59356086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).