(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol

C15H19BrF2O2 — CID 106942119

IUPAC(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2c(F)ccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H19BrF2O2/c1-2-20-15(8-4-3-5-9-15)14(19)12-11(17)7-6-10(16)13(12)18/h6-7,14,19H,2-5,8-9H2,1H3
InChIKeyJGKVGZOGFDXACA-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.50
Rot. Bonds4

About (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol

(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol (PubChem CID 106942119) has the molecular formula C15H19BrF2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
PubChem CID106942119
Molecular FormulaC15H19BrF2O2
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2c(F)ccc(Br)c2F)CCCCC1
InChIInChI=1S/C15H19BrF2O2/c1-2-20-15(8-4-3-5-9-15)14(19)12-11(17)7-6-10(16)13(12)18/h6-7,14,19H,2-5,8-9H2,1H3
InChIKeyJGKVGZOGFDXACA-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(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
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
(3-bromo-2,6-difluorophenyl)-(1-ethoxycycloheptyl)methanone
CID 106941879
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol (CID 106942119) is (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2c(F)ccc(Br)c2F)CCCCC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is JGKVGZOGFDXACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2O2/c1-2-20-15(8-4-3-5-9-15)14(19)12-11(17)7-6-10(16)13(12)18/h6-7,14,19H,2-5,8-9H2,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol?
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol has a molecular weight of 349.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 106942119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).