(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol

C15H20ClFO2 — CID 105394608

IUPAC(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyDWFSUCBPFXRAET-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.25
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol

(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol (PubChem CID 105394608) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
PubChem CID105394608
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyDWFSUCBPFXRAET-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
[(2-chloro-5-fluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105397987
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol (CID 105394608) is (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2cc(F)ccc2Cl)CCCCC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is DWFSUCBPFXRAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol has a molecular weight of 286.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 105394608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).