[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol

C15H21FO2 — CID 114191393

IUPAC[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(OCCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H21FO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,11H2
InChIKeyYOTIWVSWGWFIOF-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.67
Rot. Bonds5

About [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol

[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol (PubChem CID 114191393) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
PubChem CID114191393
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(OCCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H21FO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,11H2
InChIKeyYOTIWVSWGWFIOF-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
CID 107690715

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol (CID 114191393) is [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol is OCc1ccc(OCCC2CCCCC2)c(F)c1.
What is the InChIKey of [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol?
The InChIKey is YOTIWVSWGWFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,11H2.
What are the key properties of [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol?
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 114191393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).