1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone

C21H17ClO2 — CID 171037801

IUPAC1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClO2/c1-15(23)18-12-11-17(19-9-5-6-10-20(19)22)13-21(18)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyMYSNSUOARXULQR-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.79
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone

1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone (PubChem CID 171037801) has the molecular formula C21H17ClO2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
PubChem CID171037801
Molecular FormulaC21H17ClO2
Molecular Weight336.82 g/mol
Exact Mass336.09
IUPAC Name1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClO2/c1-15(23)18-12-11-17(19-9-5-6-10-20(19)22)13-21(18)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyMYSNSUOARXULQR-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037805
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
CID 14203026
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
methyl 4-(4-ethynylphenyl)-2-phenylmethoxybenzoate
CID 171662673
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone (CID 171037801) is 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone is CC(=O)c1ccc(-c2ccccc2Cl)cc1OCc1ccccc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone?
The InChIKey is MYSNSUOARXULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO2/c1-15(23)18-12-11-17(19-9-5-6-10-20(19)22)13-21(18)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone?
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone has a molecular weight of 336.82 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone is sourced from PubChem (CID 171037801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).