1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol

C15H20ClFO — CID 79853110

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFO/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(17)9-13(11)16/h5-6,9,18H,3-4,7-8,10H2,1-2H3
InChIKeyFHPRGUFGVVZBLK-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol

1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79853110) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79853110
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFO/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(17)9-13(11)16/h5-6,9,18H,3-4,7-8,10H2,1-2H3
InChIKeyFHPRGUFGVVZBLK-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862217
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
CID 65146803
1-[(2-chloro-4-fluorophenyl)methyl]cyclobutane-1-carbaldehyde
CID 131113843
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855542
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
CID 77090783
3-[(2,4-dichlorophenyl)methyl]-4,4-dimethylthian-3-ol
CID 79955546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79853110) is 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is FHPRGUFGVVZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-14(2)7-3-4-8-15(14,18)10-11-5-6-12(17)9-13(11)16/h5-6,9,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).