chlorobenzene;methanol

C7H9ClO — CID 20549646

IUPACchlorobenzene;methanol
SMILESCO.Clc1ccccc1
InChIInChI=1S/C6H5Cl.CH4O/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H,1H3
InChIKeyAVPVRXORILGHNM-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.95
Rot. Bonds

About chlorobenzene;methanol

chlorobenzene;methanol (PubChem CID 20549646) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is chlorobenzene;methanol.

Molecular Properties

Compound Namechlorobenzene;methanol
PubChem CID20549646
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Namechlorobenzene;methanol
SMILESCO.Clc1ccccc1
InChIInChI=1S/C6H5Cl.CH4O/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H,1H3
InChIKeyAVPVRXORILGHNM-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze chlorobenzene;methanol with MolForge

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

Launch Full Analysis

Related Compounds

benzene;chlorobenzene
CID 159657667
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
butane-2,3-dione;chlorobenzene
CID 157270090
magnesium;chlorobenzene;chloride
CID 22400294
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
chlorobenzene;hydrazine
CID 69403092
sodium;chlorobenzene;hydride
CID 173115235
chlorobenzene;phenol
CID 19771485
chlorobenzene;1,2-dichlorobenzene
CID 22250607

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;methanol?
The IUPAC name of chlorobenzene;methanol (CID 20549646) is chlorobenzene;methanol.
What is the SMILES notation for chlorobenzene;methanol?
The canonical SMILES for chlorobenzene;methanol is CO.Clc1ccccc1.
What is the InChIKey of chlorobenzene;methanol?
The InChIKey is AVPVRXORILGHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.CH4O/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H,1H3.
What are the key properties of chlorobenzene;methanol?
chlorobenzene;methanol has a molecular weight of 144.60 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;methanol is sourced from PubChem (CID 20549646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).