dichloro(phenyl)methanol

C7H6Cl2O — CID 25493

IUPACdichloro(phenyl)methanol
SMILESOC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2O/c8-7(9,10)6-4-2-1-3-5-6/h1-5,10H
InChIKeyDFTKKYALBJHNLT-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.27
Rot. Bonds1

About dichloro(phenyl)methanol

dichloro(phenyl)methanol (PubChem CID 25493) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is dichloro(phenyl)methanol.

Molecular Properties

Compound Namedichloro(phenyl)methanol
PubChem CID25493
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Namedichloro(phenyl)methanol
SMILESOC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2O/c8-7(9,10)6-4-2-1-3-5-6/h1-5,10H
InChIKeyDFTKKYALBJHNLT-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloro(phenyl)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

diphenylmethanediol;dihydrochloride
CID 174953837
2-chloro-1,2,2-triphenylethanone
CID 11301235
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403
sodium;hydride;triphenylmethanol
CID 174537383
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
1-chloro-1,1-diphenylpropan-2-ol
CID 174806376
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
2-chloro-2-phenylpropan-1-ol
CID 21408065
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800

Frequently Asked Questions

What is the IUPAC name of dichloro(phenyl)methanol?
The IUPAC name of dichloro(phenyl)methanol (CID 25493) is dichloro(phenyl)methanol.
What is the SMILES notation for dichloro(phenyl)methanol?
The canonical SMILES for dichloro(phenyl)methanol is OC(Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro(phenyl)methanol?
The InChIKey is DFTKKYALBJHNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c8-7(9,10)6-4-2-1-3-5-6/h1-5,10H.
What are the key properties of dichloro(phenyl)methanol?
dichloro(phenyl)methanol has a molecular weight of 177.03 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(phenyl)methanol is sourced from PubChem (CID 25493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).