1-(4-cyclopropylphenyl)ethane-1,1-diol

C11H14O2 — CID 91219710

IUPAC1-(4-cyclopropylphenyl)ethane-1,1-diol
SMILESCC(O)(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H14O2/c1-11(12,13)10-6-4-9(5-7-10)8-2-3-8/h4-8,12-13H,2-3H2,1H3
InChIKeySGMZUDOJVKXQTB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-cyclopropylphenyl)ethane-1,1-diol

1-(4-cyclopropylphenyl)ethane-1,1-diol (PubChem CID 91219710) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)ethane-1,1-diol
PubChem CID91219710
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(4-cyclopropylphenyl)ethane-1,1-diol
SMILESCC(O)(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H14O2/c1-11(12,13)10-6-4-9(5-7-10)8-2-3-8/h4-8,12-13H,2-3H2,1H3
InChIKeySGMZUDOJVKXQTB-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117336939
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)ethane-1,1-diol?
The IUPAC name of 1-(4-cyclopropylphenyl)ethane-1,1-diol (CID 91219710) is 1-(4-cyclopropylphenyl)ethane-1,1-diol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)ethane-1,1-diol?
The canonical SMILES for 1-(4-cyclopropylphenyl)ethane-1,1-diol is CC(O)(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)ethane-1,1-diol?
The InChIKey is SGMZUDOJVKXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(12,13)10-6-4-9(5-7-10)8-2-3-8/h4-8,12-13H,2-3H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)ethane-1,1-diol?
1-(4-cyclopropylphenyl)ethane-1,1-diol has a molecular weight of 178.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)ethane-1,1-diol is sourced from PubChem (CID 91219710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).