1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol

C14H20O2 — CID 65459253

IUPAC1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)CC1CCC1
InChIInChI=1S/C14H20O2/c1-16-14-8-3-2-7-12(14)10-13(15)9-11-5-4-6-11/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3
InChIKeyJTEBJOWASDLPLP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol

1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol (PubChem CID 65459253) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
PubChem CID65459253
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)CC1CCC1
InChIInChI=1S/C14H20O2/c1-16-14-8-3-2-7-12(14)10-13(15)9-11-5-4-6-11/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3
InChIKeyJTEBJOWASDLPLP-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol (CID 65459253) is 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol is COc1ccccc1CC(O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol?
The InChIKey is JTEBJOWASDLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-16-14-8-3-2-7-12(14)10-13(15)9-11-5-4-6-11/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol?
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 65459253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).