6-[(4-chlorophenyl)methoxy]chromen-4-one

C16H11ClO3 — CID 57379750

IUPAC6-[(4-chlorophenyl)methoxy]chromen-4-one
SMILESO=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H11ClO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2
InChIKeyMJXARBMPJZTTEJ-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.03
Rot. Bonds3

About 6-[(4-chlorophenyl)methoxy]chromen-4-one

6-[(4-chlorophenyl)methoxy]chromen-4-one (PubChem CID 57379750) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]chromen-4-one
PubChem CID57379750
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name6-[(4-chlorophenyl)methoxy]chromen-4-one
SMILESO=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H11ClO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2
InChIKeyMJXARBMPJZTTEJ-UHFFFAOYSA-N
XLogP4.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]chromen-4-one?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]chromen-4-one (CID 57379750) is 6-[(4-chlorophenyl)methoxy]chromen-4-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]chromen-4-one?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]chromen-4-one is O=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]chromen-4-one?
The InChIKey is MJXARBMPJZTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2.
What are the key properties of 6-[(4-chlorophenyl)methoxy]chromen-4-one?
6-[(4-chlorophenyl)methoxy]chromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]chromen-4-one is sourced from PubChem (CID 57379750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).