1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

C15H21FO2 — CID 103452318

IUPAC1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(F)c(C(O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C15H21FO2/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(2)3-4-13(12)16/h3-4,9-10,14,17-18H,5-8H2,1-2H3
InChIKeyAKNTTWDCYLRODI-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.11
Rot. Bonds2

About 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452318) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
PubChem CID103452318
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(F)c(C(O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C15H21FO2/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(2)3-4-13(12)16/h3-4,9-10,14,17-18H,5-8H2,1-2H3
InChIKeyAKNTTWDCYLRODI-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 55179614
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061551
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
CID 103452414

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (CID 103452318) is 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is Cc1ccc(F)c(C(O)C2(O)CCC(C)CC2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The InChIKey is AKNTTWDCYLRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(2)3-4-13(12)16/h3-4,9-10,14,17-18H,5-8H2,1-2H3.
What are the key properties of 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).