2-chloro-1-(4-phenylmethoxyphenyl)ethanone

C15H13ClO2 — CID 14579462

IUPAC2-chloro-1-(4-phenylmethoxyphenyl)ethanone
SMILESO=C(CCl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13ClO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHHDKCZQVOUIHNU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-1-(4-phenylmethoxyphenyl)ethanone

2-chloro-1-(4-phenylmethoxyphenyl)ethanone (PubChem CID 14579462) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-1-(4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-phenylmethoxyphenyl)ethanone
PubChem CID14579462
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-1-(4-phenylmethoxyphenyl)ethanone
SMILESO=C(CCl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13ClO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHHDKCZQVOUIHNU-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
4-phenylmethoxybenzoic acid
CID 68896574
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
2-azido-1-(4-phenylmethoxyphenyl)ethanone
CID 71416333
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
N-methyl-4-phenylmethoxybenzamide
CID 2996745
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone
CID 58209553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(4-phenylmethoxyphenyl)ethanone (CID 14579462) is 2-chloro-1-(4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(4-phenylmethoxyphenyl)ethanone is O=C(CCl)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-1-(4-phenylmethoxyphenyl)ethanone?
The InChIKey is HHDKCZQVOUIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-chloro-1-(4-phenylmethoxyphenyl)ethanone?
2-chloro-1-(4-phenylmethoxyphenyl)ethanone has a molecular weight of 260.72 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 14579462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).