1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol

C15H21FO — CID 114346704

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCCCC1C
InChIInChI=1S/C15H21FO/c1-11-9-14(16)7-6-13(11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyIYPQJOFQUDIIIO-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.62
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol

1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol (PubChem CID 114346704) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
PubChem CID114346704
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCCCC1C
InChIInChI=1S/C15H21FO/c1-11-9-14(16)7-6-13(11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyIYPQJOFQUDIIIO-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873605
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
2-[(4-fluoro-2-methylphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114346975
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol (CID 114346704) is 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol is Cc1cc(F)ccc1CC1(O)CCCCC1C.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is IYPQJOFQUDIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-11-9-14(16)7-6-13(11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 236.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 114346704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).