(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde

C8H7ClO2 — CID 140582980

IUPAC(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-5,8,11H/t8-/m0/s1
InChIKeyUNHKXCUPZCQPBM-QMMMGPOBSA-N
MW170.59 g/mol
LogP1.57
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde

(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde (PubChem CID 140582980) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
PubChem CID140582980
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-5,8,11H/t8-/m0/s1
InChIKeyUNHKXCUPZCQPBM-QMMMGPOBSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.57
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-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde
CID 167029078
(3-chlorophenyl)methanediol
CID 20679602
2-(3-chlorophenyl)-2-sulfanylacetaldehyde
CID 173459675
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(3-chlorophenyl)-fluoromethanol
CID 70239224
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
CID 24866948
3-(3-chlorophenyl)butan-2-ol
CID 66437186
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde (CID 140582980) is (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde is O=C[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde?
The InChIKey is UNHKXCUPZCQPBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-5,8,11H/t8-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde?
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde has a molecular weight of 170.59 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 140582980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).