(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

C17H25FO2 — CID 116755728

IUPAC(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)c2cc(F)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C17H25FO2/c1-12-5-6-13(18)11-14(12)15(19)17(20-4)9-7-16(2,3)8-10-17/h5-6,11,15,19H,7-10H2,1-4H3
InChIKeyOTJBJAKQDVZEOB-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.15
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 116755728) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID116755728
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)c2cc(F)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C17H25FO2/c1-12-5-6-13(18)11-14(12)15(19)17(20-4)9-7-16(2,3)8-10-17/h5-6,11,15,19H,7-10H2,1-4H3
InChIKeyOTJBJAKQDVZEOB-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277963
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
[(5-fluoro-2-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275942
CID 170791965
CID 170791965
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (CID 116755728) is (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is COC1(C(O)c2cc(F)ccc2C)CCC(C)(C)CC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is OTJBJAKQDVZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-12-5-6-13(18)11-14(12)15(19)17(20-4)9-7-16(2,3)8-10-17/h5-6,11,15,19H,7-10H2,1-4H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 280.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 116755728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).