cyclobutyl-(2-fluoro-4-methylphenyl)methanol

C12H15FO — CID 115837888

IUPACcyclobutyl-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCC2)c(F)c1
InChIInChI=1S/C12H15FO/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12,14H,2-4H2,1H3
InChIKeyDJMGPVKDLVYXQD-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.97
Rot. Bonds2

About cyclobutyl-(2-fluoro-4-methylphenyl)methanol

cyclobutyl-(2-fluoro-4-methylphenyl)methanol (PubChem CID 115837888) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is cyclobutyl-(2-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(2-fluoro-4-methylphenyl)methanol
PubChem CID115837888
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Namecyclobutyl-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCC2)c(F)c1
InChIInChI=1S/C12H15FO/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12,14H,2-4H2,1H3
InChIKeyDJMGPVKDLVYXQD-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-fluoro-4-methylphenyl)methanol?
The IUPAC name of cyclobutyl-(2-fluoro-4-methylphenyl)methanol (CID 115837888) is cyclobutyl-(2-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for cyclobutyl-(2-fluoro-4-methylphenyl)methanol?
The canonical SMILES for cyclobutyl-(2-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)C2CCC2)c(F)c1.
What is the InChIKey of cyclobutyl-(2-fluoro-4-methylphenyl)methanol?
The InChIKey is DJMGPVKDLVYXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12,14H,2-4H2,1H3.
What are the key properties of cyclobutyl-(2-fluoro-4-methylphenyl)methanol?
cyclobutyl-(2-fluoro-4-methylphenyl)methanol has a molecular weight of 194.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 115837888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).