1-chloro-2-(phenoxymethyl)benzene

C13H11ClO — CID 7746258

IUPAC1-chloro-2-(phenoxymethyl)benzene
SMILESClc1ccccc1COc1ccccc1
InChIInChI=1S/C13H11ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyOPCXDDTZIXLMMK-UHFFFAOYSA-N
MW218.68 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-2-(phenoxymethyl)benzene

1-chloro-2-(phenoxymethyl)benzene (PubChem CID 7746258) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(phenoxymethyl)benzene
PubChem CID7746258
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name1-chloro-2-(phenoxymethyl)benzene
SMILESClc1ccccc1COc1ccccc1
InChIInChI=1S/C13H11ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyOPCXDDTZIXLMMK-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(phenoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(phenoxymethyl)benzene?
The IUPAC name of 1-chloro-2-(phenoxymethyl)benzene (CID 7746258) is 1-chloro-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-chloro-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-chloro-2-(phenoxymethyl)benzene is Clc1ccccc1COc1ccccc1.
What is the InChIKey of 1-chloro-2-(phenoxymethyl)benzene?
The InChIKey is OPCXDDTZIXLMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2.
What are the key properties of 1-chloro-2-(phenoxymethyl)benzene?
1-chloro-2-(phenoxymethyl)benzene has a molecular weight of 218.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(phenoxymethyl)benzene is sourced from PubChem (CID 7746258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).