1-(2-cyclobutylphenyl)butane-1,2-diol

C14H20O2 — CID 103454593

IUPAC1-(2-cyclobutylphenyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccccc1C1CCC1
InChIInChI=1S/C14H20O2/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13-16H,2,5-7H2,1H3
InChIKeyWWDQTYDSYCMKSD-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-cyclobutylphenyl)butane-1,2-diol

1-(2-cyclobutylphenyl)butane-1,2-diol (PubChem CID 103454593) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)butane-1,2-diol
PubChem CID103454593
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2-cyclobutylphenyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccccc1C1CCC1
InChIInChI=1S/C14H20O2/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13-16H,2,5-7H2,1H3
InChIKeyWWDQTYDSYCMKSD-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114602355
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1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798
1-(2-cyclohexylphenyl)-1-hydroxypropan-2-one
CID 174983482
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
CID 173057877

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)butane-1,2-diol?
The IUPAC name of 1-(2-cyclobutylphenyl)butane-1,2-diol (CID 103454593) is 1-(2-cyclobutylphenyl)butane-1,2-diol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)butane-1,2-diol?
The canonical SMILES for 1-(2-cyclobutylphenyl)butane-1,2-diol is CCC(O)C(O)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)butane-1,2-diol?
The InChIKey is WWDQTYDSYCMKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13-16H,2,5-7H2,1H3.
What are the key properties of 1-(2-cyclobutylphenyl)butane-1,2-diol?
1-(2-cyclobutylphenyl)butane-1,2-diol has a molecular weight of 220.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)butane-1,2-diol is sourced from PubChem (CID 103454593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).