2,2-dichloro-1-phenylethanol

C8H8Cl2O — CID 10559602

IUPAC2,2-dichloro-1-phenylethanol
SMILESOC(c1ccccc1)C(Cl)Cl
InChIInChI=1S/C8H8Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H
InChIKeyXNSCLDYOTQWNGW-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.52
Rot. Bonds2

About 2,2-dichloro-1-phenylethanol

2,2-dichloro-1-phenylethanol (PubChem CID 10559602) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 2,2-dichloro-1-phenylethanol.

Molecular Properties

Compound Name2,2-dichloro-1-phenylethanol
PubChem CID10559602
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name2,2-dichloro-1-phenylethanol
SMILESOC(c1ccccc1)C(Cl)Cl
InChIInChI=1S/C8H8Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H
InChIKeyXNSCLDYOTQWNGW-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2,2,2-Trichloro-1-phenylethanol
CID 16150
(1R)-3-chloro-1-phenylpropan-1-ol
CID 642409
4,4'-Dichlorobenzhydrol
CID 7033
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
1-Phenylbut-3-en-1-ol
CID 220119
1-(3-Chlorophenyl)-2,2-dichloroethanol
CID 33983

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-phenylethanol?
The IUPAC name of 2,2-dichloro-1-phenylethanol (CID 10559602) is 2,2-dichloro-1-phenylethanol.
What is the SMILES notation for 2,2-dichloro-1-phenylethanol?
The canonical SMILES for 2,2-dichloro-1-phenylethanol is OC(c1ccccc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-phenylethanol?
The InChIKey is XNSCLDYOTQWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H.
What are the key properties of 2,2-dichloro-1-phenylethanol?
2,2-dichloro-1-phenylethanol has a molecular weight of 191.06 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-phenylethanol is sourced from PubChem (CID 10559602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).