(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol

C15H20F2O2 — CID 116754991

IUPAC(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C15H20F2O2/c1-10-4-3-7-15(9-10,19-2)14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyMFHSCVBUPCOJJC-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.59
Rot. Bonds3

About (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol

(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol (PubChem CID 116754991) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
PubChem CID116754991
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C15H20F2O2/c1-10-4-3-7-15(9-10,19-2)14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyMFHSCVBUPCOJJC-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
[(2-fluoro-4-methoxyphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 103397686
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
[2-(4-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277596

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol (CID 116754991) is (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol is COC1(C(O)c2ccc(F)cc2F)CCCC(C)C1.
What is the InChIKey of (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol?
The InChIKey is MFHSCVBUPCOJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-10-4-3-7-15(9-10,19-2)14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol?
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol has a molecular weight of 270.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 116754991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).