[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone

C20H15ClO2 — CID 1265675

IUPAC[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C20H15ClO2/c21-18-8-4-5-9-19(18)23-14-15-10-12-17(13-11-15)20(22)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyPYOOGTNLWFJCLR-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.15
Rot. Bonds5

About [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone

[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone (PubChem CID 1265675) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
PubChem CID1265675
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C20H15ClO2/c21-18-8-4-5-9-19(18)23-14-15-10-12-17(13-11-15)20(22)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyPYOOGTNLWFJCLR-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chlorophenoxy)methyl]phenyl]-(cyclohepten-1-yl)methanone
CID 177185601
[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
CID 141062462
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
(4-benzoylphenyl)methyl carbonochloridate
CID 10912734
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 7919222
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide
CID 145488927

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone (CID 1265675) is [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone?
The InChIKey is PYOOGTNLWFJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c21-18-8-4-5-9-19(18)23-14-15-10-12-17(13-11-15)20(22)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone?
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone has a molecular weight of 322.79 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 1265675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).