1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one

C21H17ClO2 — CID 157438044

IUPAC1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClO2/c22-18-8-12-21(13-9-18)24-20-10-6-17(7-11-20)15-19(23)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyBRIKLHGZTCAQSC-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.49
Rot. Bonds6

About 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one

1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one (PubChem CID 157438044) has the molecular formula C21H17ClO2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
PubChem CID157438044
Molecular FormulaC21H17ClO2
Molecular Weight336.82 g/mol
Exact Mass336.09
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClO2/c22-18-8-12-21(13-9-18)24-20-10-6-17(7-11-20)15-19(23)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyBRIKLHGZTCAQSC-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
1,3-diphenyl(213C)propan-2-one
CID 100945080
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
6-chloro-1-(4-phenoxyphenyl)hexan-2-one
CID 176903490
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one (CID 157438044) is 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one?
The InChIKey is BRIKLHGZTCAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO2/c22-18-8-12-21(13-9-18)24-20-10-6-17(7-11-20)15-19(23)14-16-4-2-1-3-5-16/h1-13H,14-15H2.
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one?
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one has a molecular weight of 336.82 g/mol, XLogP of 5.49, 6 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]-3-phenylpropan-2-one is sourced from PubChem (CID 157438044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).