1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol

C15H22O3 — CID 113490189

IUPAC1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2CCC2)cc1OC
InChIInChI=1S/C15H22O3/c1-15(16,10-11-5-4-6-11)12-7-8-13(17-2)14(9-12)18-3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyKUVTXHSQNOGNNW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol

1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol (PubChem CID 113490189) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
PubChem CID113490189
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2CCC2)cc1OC
InChIInChI=1S/C15H22O3/c1-15(16,10-11-5-4-6-11)12-7-8-13(17-2)14(9-12)18-3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyKUVTXHSQNOGNNW-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 113490170
2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
CID 113490168
1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
CID 107128199
1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
CID 114794874
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
4-(1-cyclohexyl-2-hydroxypropan-2-yl)benzonitrile
CID 113318956
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol (CID 113490189) is 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol is COc1ccc(C(C)(O)CC2CCC2)cc1OC.
What is the InChIKey of 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol?
The InChIKey is KUVTXHSQNOGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(16,10-11-5-4-6-11)12-7-8-13(17-2)14(9-12)18-3/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol?
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 113490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).