1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

C14H18F2O2 — CID 103452503

IUPAC1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2O2/c1-9-4-6-14(18,7-5-9)13(17)11-3-2-10(15)8-12(11)16/h2-3,8-9,13,17-18H,4-7H2,1H3
InChIKeyKZEVVKOEVMYTOA-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.94
Rot. Bonds2

About 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452503) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
PubChem CID103452503
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2O2/c1-9-4-6-14(18,7-5-9)13(17)11-3-2-10(15)8-12(11)16/h2-3,8-9,13,17-18H,4-7H2,1H3
InChIKeyKZEVVKOEVMYTOA-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (CID 103452503) is 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(C(O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The InChIKey is KZEVVKOEVMYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-9-4-6-14(18,7-5-9)13(17)11-3-2-10(15)8-12(11)16/h2-3,8-9,13,17-18H,4-7H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol has a molecular weight of 256.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).