2-(2,2-dichloro-3-methylcyclopropyl)ethanol

C6H10Cl2O — CID 86130099

IUPAC2-(2,2-dichloro-3-methylcyclopropyl)ethanol
SMILESCC1C(CCO)C1(Cl)Cl
InChIInChI=1S/C6H10Cl2O/c1-4-5(2-3-9)6(4,7)8/h4-5,9H,2-3H2,1H3
InChIKeyHAHQGUBXHSOPCG-UHFFFAOYSA-N
MW169.05 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,2-dichloro-3-methylcyclopropyl)ethanol

2-(2,2-dichloro-3-methylcyclopropyl)ethanol (PubChem CID 86130099) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 2-(2,2-dichloro-3-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2,2-dichloro-3-methylcyclopropyl)ethanol
PubChem CID86130099
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name2-(2,2-dichloro-3-methylcyclopropyl)ethanol
SMILESCC1C(CCO)C1(Cl)Cl
InChIInChI=1S/C6H10Cl2O/c1-4-5(2-3-9)6(4,7)8/h4-5,9H,2-3H2,1H3
InChIKeyHAHQGUBXHSOPCG-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2-dichloro-3-methylcyclopropyl)ethanol 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

1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
2-[(1S,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]ethanol
CID 70480385
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174
[(1R,3R)-2,2,3-trimethylcyclopropyl]methanol
CID 14202706
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
2-(3-methylcyclobutyl)ethanol
CID 59157244
4-(2,2-dichloro-3-hydroxycyclopropyl)butan-2-one
CID 130143793
2-(2-ethyl-3-methylcyclopropyl)ethanol
CID 91526803
2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 134991840

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-3-methylcyclopropyl)ethanol?
The IUPAC name of 2-(2,2-dichloro-3-methylcyclopropyl)ethanol (CID 86130099) is 2-(2,2-dichloro-3-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2,2-dichloro-3-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(2,2-dichloro-3-methylcyclopropyl)ethanol is CC1C(CCO)C1(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloro-3-methylcyclopropyl)ethanol?
The InChIKey is HAHQGUBXHSOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-4-5(2-3-9)6(4,7)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-(2,2-dichloro-3-methylcyclopropyl)ethanol?
2-(2,2-dichloro-3-methylcyclopropyl)ethanol has a molecular weight of 169.05 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-3-methylcyclopropyl)ethanol is sourced from PubChem (CID 86130099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).