1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol

C11H13ClO2 — CID 82713245

IUPAC1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
SMILESOCC(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClO2/c12-10-5-3-9(4-6-10)11(14,7-13)8-1-2-8/h3-6,8,13-14H,1-2,7H2
InChIKeyUVIYZCOSDSKMQC-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol

1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol (PubChem CID 82713245) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
PubChem CID82713245
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
SMILESOCC(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClO2/c12-10-5-3-9(4-6-10)11(14,7-13)8-1-2-8/h3-6,8,13-14H,1-2,7H2
InChIKeyUVIYZCOSDSKMQC-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol (CID 82713245) is 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol is OCC(O)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol?
The InChIKey is UVIYZCOSDSKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-10-5-3-9(4-6-10)11(14,7-13)8-1-2-8/h3-6,8,13-14H,1-2,7H2.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol?
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol has a molecular weight of 212.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol is sourced from PubChem (CID 82713245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).