1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol

C20H20ClN3O — CID 118473735

IUPAC1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
SMILESOC1(c2cccc(-c3ccc(Cl)cc3)c2)CCCCC1n1cncn1
InChIInChI=1S/C20H20ClN3O/c21-18-9-7-15(8-10-18)16-4-3-5-17(12-16)20(25)11-2-1-6-19(20)24-14-22-13-23-24/h3-5,7-10,12-14,19,25H,1-2,6,11H2
InChIKeyMBUDXQGNICVLOF-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.60
Rot. Bonds3

About 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol

1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol (PubChem CID 118473735) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
PubChem CID118473735
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
SMILESOC1(c2cccc(-c3ccc(Cl)cc3)c2)CCCCC1n1cncn1
InChIInChI=1S/C20H20ClN3O/c21-18-9-7-15(8-10-18)16-4-3-5-17(12-16)20(25)11-2-1-6-19(20)24-14-22-13-23-24/h3-5,7-10,12-14,19,25H,1-2,6,11H2
InChIKeyMBUDXQGNICVLOF-UHFFFAOYSA-N
XLogP4.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol;2-(1,2,4-triazol-1-yl)cycloheptan-1-one
CID 159896424
1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
CID 118473657
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
CID 118473703
1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
CID 118473690
1-(2-chloro-2-phenyloxolan-3-yl)-1,2,4-triazole
CID 118473666
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
3,4-dichloro-N-[1-[2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 90810101
bis[2-amino-1-(3-chlorophenyl)cyclohexyl]methanone
CID 151582814
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473658

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol (CID 118473735) is 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol is OC1(c2cccc(-c3ccc(Cl)cc3)c2)CCCCC1n1cncn1.
What is the InChIKey of 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol?
The InChIKey is MBUDXQGNICVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-18-9-7-15(8-10-18)16-4-3-5-17(12-16)20(25)11-2-1-6-19(20)24-14-22-13-23-24/h3-5,7-10,12-14,19,25H,1-2,6,11H2.
What are the key properties of 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol?
1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol has a molecular weight of 353.85 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 118473735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).