2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol

C15H22O3 — CID 103165429

IUPAC2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2CCC2)cc1OC
InChIInChI=1S/C15H22O3/c1-10-7-14(17-2)15(18-3)9-12(10)13(16)8-11-5-4-6-11/h7,9,11,13,16H,4-6,8H2,1-3H3
InChIKeyUHGMMDJDKWDAFF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol

2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol (PubChem CID 103165429) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
PubChem CID103165429
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2CCC2)cc1OC
InChIInChI=1S/C15H22O3/c1-10-7-14(17-2)15(18-3)9-12(10)13(16)8-11-5-4-6-11/h7,9,11,13,16H,4-6,8H2,1-3H3
InChIKeyUHGMMDJDKWDAFF-UHFFFAOYSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557562
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879534

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol (CID 103165429) is 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol is COc1cc(C)c(C(O)CC2CCC2)cc1OC.
What is the InChIKey of 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol?
The InChIKey is UHGMMDJDKWDAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-14(17-2)15(18-3)9-12(10)13(16)8-11-5-4-6-11/h7,9,11,13,16H,4-6,8H2,1-3H3.
What are the key properties of 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol?
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 103165429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).