[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol

C14H18F2O2 — CID 106825197

IUPAC[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2O2/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h3,6-7,10,13,17H,1-2,4-5,8-9H2
InChIKeyJRFSVAATPDZPIB-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.03
Rot. Bonds4

About [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol

[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol (PubChem CID 106825197) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
PubChem CID106825197
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2O2/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h3,6-7,10,13,17H,1-2,4-5,8-9H2
InChIKeyJRFSVAATPDZPIB-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
CID 107882683
[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol
CID 114084546
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103046492
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol
CID 106825333
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol
CID 106825329

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol (CID 106825197) is [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol is OCC1CCC(OCc2cc(F)ccc2F)CC1.
What is the InChIKey of [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol?
The InChIKey is JRFSVAATPDZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h3,6-7,10,13,17H,1-2,4-5,8-9H2.
What are the key properties of [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol?
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol has a molecular weight of 256.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).