1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone

C15H13ClO2 — CID 895200

IUPAC1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3
InChIKeyUQTBIVLRMFWATO-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.12
Rot. Bonds4

About 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone

1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone (PubChem CID 895200) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone
PubChem CID895200
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3
InChIKeyUQTBIVLRMFWATO-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone (CID 895200) is 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone?
The InChIKey is UQTBIVLRMFWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone?
1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone has a molecular weight of 260.72 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 895200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).