2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol

C10H12Cl2O — CID 54350768

IUPAC2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
SMILESOC(CCl)c1ccc(CCCl)cc1
InChIInChI=1S/C10H12Cl2O/c11-6-5-8-1-3-9(4-2-8)10(13)7-12/h1-4,10,13H,5-7H2
InChIKeyUFOUFXMDHIRIFW-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol

2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol (PubChem CID 54350768) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
PubChem CID54350768
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
SMILESOC(CCl)c1ccc(CCCl)cc1
InChIInChI=1S/C10H12Cl2O/c11-6-5-8-1-3-9(4-2-8)10(13)7-12/h1-4,10,13H,5-7H2
InChIKeyUFOUFXMDHIRIFW-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.74
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

4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
(1S)-2-chloro-1-phenylethanol
CID 643323
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 159659328
1-[4-(chloromethyl)phenyl]ethane-1,2-diol
CID 88977117
1-[4-(chloromethyl)phenyl]propan-1-ol
CID 18423117
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
CID 70173310
4-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]butanoic acid
CID 171862895
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol?
The IUPAC name of 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol (CID 54350768) is 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol.
What is the SMILES notation for 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol?
The canonical SMILES for 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol is OC(CCl)c1ccc(CCCl)cc1.
What is the InChIKey of 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol?
The InChIKey is UFOUFXMDHIRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c11-6-5-8-1-3-9(4-2-8)10(13)7-12/h1-4,10,13H,5-7H2.
What are the key properties of 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol?
2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol has a molecular weight of 219.11 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol is sourced from PubChem (CID 54350768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).