2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol

C16H23BrO3 — CID 116753002

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cc(OC)ccc2Br)CCCC1
InChIInChI=1S/C16H23BrO3/c1-3-20-16(8-4-5-9-16)15(18)11-12-10-13(19-2)6-7-14(12)17/h6-7,10,15,18H,3-5,8-9,11H2,1-2H3
InChIKeyZLWJFQXYHKPFFB-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol (PubChem CID 116753002) has the molecular formula C16H23BrO3 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
PubChem CID116753002
Molecular FormulaC16H23BrO3
Molecular Weight343.26 g/mol
Exact Mass342.08
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cc(OC)ccc2Br)CCCC1
InChIInChI=1S/C16H23BrO3/c1-3-20-16(8-4-5-9-16)15(18)11-12-10-13(19-2)6-7-14(12)17/h6-7,10,15,18H,3-5,8-9,11H2,1-2H3
InChIKeyZLWJFQXYHKPFFB-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
(1-ethoxycyclopentyl)-(4-methoxy-2-methylphenyl)methanol
CID 116753155
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol (CID 116753002) is 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol is CCOC1(C(O)Cc2cc(OC)ccc2Br)CCCC1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol?
The InChIKey is ZLWJFQXYHKPFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO3/c1-3-20-16(8-4-5-9-16)15(18)11-12-10-13(19-2)6-7-14(12)17/h6-7,10,15,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol has a molecular weight of 343.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol is sourced from PubChem (CID 116753002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).