(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol

C16H23FO3 — CID 116753675

IUPAC(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCCOC1(C(O)c2cccc(OC)c2F)CCCCC1
InChIInChI=1S/C16H23FO3/c1-3-20-16(10-5-4-6-11-16)15(18)12-8-7-9-13(19-2)14(12)17/h7-9,15,18H,3-6,10-11H2,1-2H3
InChIKeyOIZOOPTUZDSPMX-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.61
Rot. Bonds5

About (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol

(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 116753675) has the molecular formula C16H23FO3 and a molecular weight of 282.35 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID116753675
Molecular FormulaC16H23FO3
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCCOC1(C(O)c2cccc(OC)c2F)CCCCC1
InChIInChI=1S/C16H23FO3/c1-3-20-16(10-5-4-6-11-16)15(18)12-8-7-9-13(19-2)14(12)17/h7-9,15,18H,3-6,10-11H2,1-2H3
InChIKeyOIZOOPTUZDSPMX-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025039
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 116753675) is (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol is CCOC1(C(O)c2cccc(OC)c2F)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is OIZOOPTUZDSPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-3-20-16(10-5-4-6-11-16)15(18)12-8-7-9-13(19-2)14(12)17/h7-9,15,18H,3-6,10-11H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol?
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 282.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 116753675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).