(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol

C15H20F2O2 — CID 116753674

IUPAC(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cccc(F)c2F)CCCCC1
InChIInChI=1S/C15H20F2O2/c1-2-19-15(9-4-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14,18H,2-5,9-10H2,1H3
InChIKeyWHPAYYBXMABQMZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.74
Rot. Bonds4

About (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol

(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol (PubChem CID 116753674) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
PubChem CID116753674
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cccc(F)c2F)CCCCC1
InChIInChI=1S/C15H20F2O2/c1-2-19-15(9-4-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14,18H,2-5,9-10H2,1H3
InChIKeyWHPAYYBXMABQMZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol (CID 116753674) is (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2cccc(F)c2F)CCCCC1.
What is the InChIKey of (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is WHPAYYBXMABQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-2-19-15(9-4-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14,18H,2-5,9-10H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol has a molecular weight of 270.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 116753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).