8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one

C17H13ClO3 — CID 102451386

IUPAC8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c(Cl)cc(O)cc12
InChIInChI=1S/C17H13ClO3/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2
InChIKeyPFMXJESLUWYJAW-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.94
Rot. Bonds3

About 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one

8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one (PubChem CID 102451386) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one
PubChem CID102451386
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c(Cl)cc(O)cc12
InChIInChI=1S/C17H13ClO3/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2
InChIKeyPFMXJESLUWYJAW-UHFFFAOYSA-N
XLogP3.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The IUPAC name of 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one (CID 102451386) is 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one.
What is the SMILES notation for 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The canonical SMILES for 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one is O=c1cc(CCc2ccccc2)oc2c(Cl)cc(O)cc12.
What is the InChIKey of 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The InChIKey is PFMXJESLUWYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2.
What are the key properties of 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one?
8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one has a molecular weight of 300.74 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-hydroxy-2-(2-phenylethyl)chromen-4-one is sourced from PubChem (CID 102451386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).