1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol

C15H20O2 — CID 103456751

IUPAC1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
SMILESOC(c1cccc(C2CCC2)c1)C(O)C1CC1
InChIInChI=1S/C15H20O2/c16-14(11-7-8-11)15(17)13-6-2-5-12(9-13)10-3-1-4-10/h2,5-6,9-11,14-17H,1,3-4,7-8H2
InChIKeyOADRMBQBUDADAV-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol

1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol (PubChem CID 103456751) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
PubChem CID103456751
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
SMILESOC(c1cccc(C2CCC2)c1)C(O)C1CC1
InChIInChI=1S/C15H20O2/c16-14(11-7-8-11)15(17)13-6-2-5-12(9-13)10-3-1-4-10/h2,5-6,9-11,14-17H,1,3-4,7-8H2
InChIKeyOADRMBQBUDADAV-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114601273
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(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247202
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol (CID 103456751) is 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol is OC(c1cccc(C2CCC2)c1)C(O)C1CC1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol?
The InChIKey is OADRMBQBUDADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-14(11-7-8-11)15(17)13-6-2-5-12(9-13)10-3-1-4-10/h2,5-6,9-11,14-17H,1,3-4,7-8H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol?
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol has a molecular weight of 232.32 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-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol is sourced from PubChem (CID 103456751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).