1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol

C16H23BrO4 — CID 103165538

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2ccc(OC)c(Br)c2OC)C1
InChIInChI=1S/C16H23BrO4/c1-4-21-11-7-10(8-11)9-13(18)12-5-6-14(19-2)15(17)16(12)20-3/h5-6,10-11,13,18H,4,7-9H2,1-3H3
InChIKeyHILMUXRJTYCQAN-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.70
Rot. Bonds7

About 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol

1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165538) has the molecular formula C16H23BrO4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165538
Molecular FormulaC16H23BrO4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2ccc(OC)c(Br)c2OC)C1
InChIInChI=1S/C16H23BrO4/c1-4-21-11-7-10(8-11)9-13(18)12-5-6-14(19-2)15(17)16(12)20-3/h5-6,10-11,13,18H,4,7-9H2,1-3H3
InChIKeyHILMUXRJTYCQAN-UHFFFAOYSA-N
XLogP3.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 103524551
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165524
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 103523197
1-(3-bromo-2,4-dimethoxyphenyl)-2-(propylamino)ethanol
CID 103524083
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165538) is 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2ccc(OC)c(Br)c2OC)C1.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is HILMUXRJTYCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO4/c1-4-21-11-7-10(8-11)9-13(18)12-5-6-14(19-2)15(17)16(12)20-3/h5-6,10-11,13,18H,4,7-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 359.26 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).