2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol

C11H12Cl2O — CID 19770015

IUPAC2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
SMILESOCCC1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c12-10-2-1-7(6-11(10)13)9-5-8(9)3-4-14/h1-2,6,8-9,14H,3-5H2
InChIKeyCOAJGSLVCWJGSW-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.48
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol

2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol (PubChem CID 19770015) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
PubChem CID19770015
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
SMILESOCCC1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O/c12-10-2-1-7(6-11(10)13)9-5-8(9)3-4-14/h1-2,6,8-9,14H,3-5H2
InChIKeyCOAJGSLVCWJGSW-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol (CID 19770015) is 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol is OCCC1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
The InChIKey is COAJGSLVCWJGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c12-10-2-1-7(6-11(10)13)9-5-8(9)3-4-14/h1-2,6,8-9,14H,3-5H2.
What are the key properties of 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol?
2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol has a molecular weight of 231.12 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 19770015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).