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

C15H20ClFO2 — CID 116753618

IUPAC(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyUTFNMMFIWSVABN-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.25
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol

(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol (PubChem CID 116753618) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
PubChem CID116753618
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyUTFNMMFIWSVABN-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

(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762384
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol (CID 116753618) is (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2ccc(Cl)cc2F)CCCCC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is UTFNMMFIWSVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
(4-chloro-2-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 (4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 116753618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).