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

C15H20BrFO2 — CID 116753761

IUPAC(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C15H20BrFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyZUJVKFIKGBETJC-UHFFFAOYSA-N
MW331.23 g/mol
LogP4.36
Rot. Bonds4

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

(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol (PubChem CID 116753761) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
PubChem CID116753761
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C15H20BrFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyZUJVKFIKGBETJC-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762133

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol (CID 116753761) is (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2cc(Br)ccc2F)CCCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is ZUJVKFIKGBETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-2-19-15(8-4-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol?
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol has a molecular weight of 331.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 116753761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).