(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde

C13H16O2 — CID 173057877

IUPAC(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H16O2/c14-9-13(15)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10,13,15H,1-2,5-6H2/t13-/m0/s1
InChIKeyVQKMOHHRCRBOCX-ZDUSSCGKSA-N
MW204.27 g/mol
LogP2.58
Rot. Bonds3

About (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde

(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde (PubChem CID 173057877) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
PubChem CID173057877
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H16O2/c14-9-13(15)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10,13,15H,1-2,5-6H2/t13-/m0/s1
InChIKeyVQKMOHHRCRBOCX-ZDUSSCGKSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66679588
1-(2-cyclohexylphenyl)-1-hydroxypropan-2-one
CID 174983482
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
3-(2-cyclopropylphenyl)-3-hydroxypropanal
CID 114795310
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
2-cyclodecylbenzaldehyde
CID 142358507
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde?
The IUPAC name of (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde (CID 173057877) is (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde.
What is the SMILES notation for (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde?
The canonical SMILES for (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde is O=C[C@H](O)c1ccccc1C1CCCC1.
What is the InChIKey of (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde?
The InChIKey is VQKMOHHRCRBOCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O2/c14-9-13(15)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10,13,15H,1-2,5-6H2/t13-/m0/s1.
What are the key properties of (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde?
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 173057877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).