3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol

C16H23FO — CID 115794441

IUPAC3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C16H23FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13,16,18H,2-6,8,10H2,1H3
InChIKeyBHBRRMKCXCHTQQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.53
Rot. Bonds4

About 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol

3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 115794441) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
PubChem CID115794441
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C16H23FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13,16,18H,2-6,8,10H2,1H3
InChIKeyBHBRRMKCXCHTQQ-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
CID 114192030
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 63891500

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol (CID 115794441) is 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol is Cc1ccc(F)c(C(O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is BHBRRMKCXCHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13,16,18H,2-6,8,10H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol?
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 115794441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).