1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol

C16H24O4 — CID 103170312

IUPAC1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2c(OC)cccc2OC)C1
InChIInChI=1S/C16H24O4/c1-4-20-12-8-11(9-12)10-13(17)16-14(18-2)6-5-7-15(16)19-3/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyVKOSJPKQXUYCNU-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.94
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol

1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103170312) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103170312
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2c(OC)cccc2OC)C1
InChIInChI=1S/C16H24O4/c1-4-20-12-8-11(9-12)10-13(17)16-14(18-2)6-5-7-15(16)19-3/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyVKOSJPKQXUYCNU-UHFFFAOYSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
CID 103167202
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165538
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165524
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
1-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]naphthalene
CID 103165911
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol (CID 103170312) is 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2c(OC)cccc2OC)C1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is VKOSJPKQXUYCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-20-12-8-11(9-12)10-13(17)16-14(18-2)6-5-7-15(16)19-3/h5-7,11-13,17H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol?
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 280.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103170312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).