8-chloro-2-phenyl-2,3-dihydrochromen-4-one

C15H11ClO2 — CID 3674065

IUPAC8-chloro-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c(Cl)cccc21
InChIInChI=1S/C15H11ClO2/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyXQROCKZRCAVBQI-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.05
Rot. Bonds1

About 8-chloro-2-phenyl-2,3-dihydrochromen-4-one

8-chloro-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 3674065) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 8-chloro-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-chloro-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID3674065
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name8-chloro-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c(Cl)cccc21
InChIInChI=1S/C15H11ClO2/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyXQROCKZRCAVBQI-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-chloro-2-phenyl-2,3-dihydrochromen-4-one (CID 3674065) is 8-chloro-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-chloro-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-chloro-2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is XQROCKZRCAVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of 8-chloro-2-phenyl-2,3-dihydrochromen-4-one?
8-chloro-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 258.70 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3674065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).