1-[4-(4-chlorophenoxy)phenyl]propan-2-one

C15H13ClO2 — CID 18000323

IUPAC1-[4-(4-chlorophenoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2/c1-11(17)10-12-2-6-14(7-3-12)18-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3
InChIKeyMZMALMLQHQUVTN-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-(4-chlorophenoxy)phenyl]propan-2-one

1-[4-(4-chlorophenoxy)phenyl]propan-2-one (PubChem CID 18000323) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]propan-2-one
PubChem CID18000323
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2/c1-11(17)10-12-2-6-14(7-3-12)18-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3
InChIKeyMZMALMLQHQUVTN-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[4-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)acetamide
CID 4575386
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
(4-chlorophenyl) acetate
CID 13410
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
[4-(2-oxopropyl)phenyl] methanesulfonate
CID 117328857
1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one
CID 67807778
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
[4-(4-chlorophenoxy)phenyl]methylazanium
CID 7022021

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]propan-2-one?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]propan-2-one (CID 18000323) is 1-[4-(4-chlorophenoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]propan-2-one is CC(=O)Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]propan-2-one?
The InChIKey is MZMALMLQHQUVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11(17)10-12-2-6-14(7-3-12)18-15-8-4-13(16)5-9-15/h2-9H,10H2,1H3.
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]propan-2-one?
1-[4-(4-chlorophenoxy)phenyl]propan-2-one has a molecular weight of 260.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)phenyl]propan-2-one is sourced from PubChem (CID 18000323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).