1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol

C17H25BrO3 — CID 103165524

IUPAC1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2c(C)c(Br)cc(C)c2OC)C1
InChIInChI=1S/C17H25BrO3/c1-5-21-13-7-12(8-13)9-15(19)16-11(3)14(18)6-10(2)17(16)20-4/h6,12-13,15,19H,5,7-9H2,1-4H3
InChIKeyLXCYZMICJZEXCO-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.31
Rot. Bonds6

About 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165524) has the molecular formula C17H25BrO3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165524
Molecular FormulaC17H25BrO3
Molecular Weight357.29 g/mol
Exact Mass356.10
IUPAC Name1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2c(C)c(Br)cc(C)c2OC)C1
InChIInChI=1S/C17H25BrO3/c1-5-21-13-7-12(8-13)9-15(19)16-11(3)14(18)6-10(2)17(16)20-4/h6,12-13,15,19H,5,7-9H2,1-4H3
InChIKeyLXCYZMICJZEXCO-UHFFFAOYSA-N
XLogP4.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
CID 103166023
1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165479
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165538
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylsulfonylethanol
CID 113370192
N-[1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103163338
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
CID 103165435
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165524) is 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2c(C)c(Br)cc(C)c2OC)C1.
What is the InChIKey of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is LXCYZMICJZEXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO3/c1-5-21-13-7-12(8-13)9-15(19)16-11(3)14(18)6-10(2)17(16)20-4/h6,12-13,15,19H,5,7-9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 357.29 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).