2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol

C11H14Cl2O — CID 164892155

IUPAC2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccccc1C(O)C(Cl)Cl
InChIInChI=1S/C11H14Cl2O/c1-7(2)8-5-3-4-6-9(8)10(14)11(12)13/h3-7,10-11,14H,1-2H3
InChIKeyFMDBZSPZPGTEJW-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.65
Rot. Bonds3

About 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol

2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol (PubChem CID 164892155) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
PubChem CID164892155
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccccc1C(O)C(Cl)Cl
InChIInChI=1S/C11H14Cl2O/c1-7(2)8-5-3-4-6-9(8)10(14)11(12)13/h3-7,10-11,14H,1-2H3
InChIKeyFMDBZSPZPGTEJW-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.65
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

1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
3-bromo-1-(2-propan-2-ylphenyl)propane-1,2-diol
CID 171859819
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
1-(3-bromo-2-methylphenyl)-2,2-dichloroethanol
CID 164892436
(1S)-2-bromo-1-(2-propan-2-ylphenyl)ethanol
CID 141407511
2,2-dichloro-1-(3-chloro-2-propan-2-yloxyphenyl)ethanol
CID 164893094
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
4-azido-1-(2-propan-2-ylphenyl)butane-1,2-diol
CID 171879302
3-chloro-2-(2-propan-2-ylphenyl)propan-1-ol
CID 177455264

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol (CID 164892155) is 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol is CC(C)c1ccccc1C(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol?
The InChIKey is FMDBZSPZPGTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-7(2)8-5-3-4-6-9(8)10(14)11(12)13/h3-7,10-11,14H,1-2H3.
What are the key properties of 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol?
2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol has a molecular weight of 233.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 164892155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).