1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol

C13H16ClFO2 — CID 113414556

IUPAC1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClFO2/c1-17-10-4-6-13(16,7-5-10)11-3-2-9(14)8-12(11)15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyJIAYYNGJAPASTD-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol

1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol (PubChem CID 113414556) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
PubChem CID113414556
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClFO2/c1-17-10-4-6-13(16,7-5-10)11-3-2-9(14)8-12(11)15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyJIAYYNGJAPASTD-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol (CID 113414556) is 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol is COC1CCC(O)(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol?
The InChIKey is JIAYYNGJAPASTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c1-17-10-4-6-13(16,7-5-10)11-3-2-9(14)8-12(11)15/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol?
1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol has a molecular weight of 258.72 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 113414556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).