3-(4-chlorophenoxy)cyclohexan-1-ol

C12H15ClO2 — CID 123350797

IUPAC3-(4-chlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2
InChIKeyPRIGGBYFXOAEKK-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.02
Rot. Bonds2

About 3-(4-chlorophenoxy)cyclohexan-1-ol

3-(4-chlorophenoxy)cyclohexan-1-ol (PubChem CID 123350797) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenoxy)cyclohexan-1-ol
PubChem CID123350797
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name3-(4-chlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2
InChIKeyPRIGGBYFXOAEKK-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)cyclohexan-1-ol?
The IUPAC name of 3-(4-chlorophenoxy)cyclohexan-1-ol (CID 123350797) is 3-(4-chlorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-chlorophenoxy)cyclohexan-1-ol?
The canonical SMILES for 3-(4-chlorophenoxy)cyclohexan-1-ol is OC1CCCC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenoxy)cyclohexan-1-ol?
The InChIKey is PRIGGBYFXOAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2.
What are the key properties of 3-(4-chlorophenoxy)cyclohexan-1-ol?
3-(4-chlorophenoxy)cyclohexan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 123350797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).