(2R)-2-hydroxy-2-naphthalen-2-ylpropanal

C13H12O2 — CID 122375981

IUPAC(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
SMILESC[C@](O)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-13(15,9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15H,1H3/t13-/m0/s1
InChIKeyJIBQAKFJIWFDOF-ZDUSSCGKSA-N
MW200.24 g/mol
LogP2.25
Rot. Bonds2

About (2R)-2-hydroxy-2-naphthalen-2-ylpropanal

(2R)-2-hydroxy-2-naphthalen-2-ylpropanal (PubChem CID 122375981) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-naphthalen-2-ylpropanal.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
PubChem CID122375981
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
SMILESC[C@](O)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-13(15,9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15H,1H3/t13-/m0/s1
InChIKeyJIBQAKFJIWFDOF-ZDUSSCGKSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.25
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

trinaphthalen-2-ylmethanol
CID 10573628
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal
CID 177440072
4-methyl-2-naphthalen-2-ylpentane-2,3-diol
CID 102080428
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
2-naphthalen-2-yl-1-(propylamino)propan-2-ol
CID 62772418
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930
1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
CID 23002857
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-naphthalen-2-ylpropanal?
The IUPAC name of (2R)-2-hydroxy-2-naphthalen-2-ylpropanal (CID 122375981) is (2R)-2-hydroxy-2-naphthalen-2-ylpropanal.
What is the SMILES notation for (2R)-2-hydroxy-2-naphthalen-2-ylpropanal?
The canonical SMILES for (2R)-2-hydroxy-2-naphthalen-2-ylpropanal is C[C@](O)(C=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-hydroxy-2-naphthalen-2-ylpropanal?
The InChIKey is JIBQAKFJIWFDOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12O2/c1-13(15,9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15H,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-naphthalen-2-ylpropanal?
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal has a molecular weight of 200.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-naphthalen-2-ylpropanal is sourced from PubChem (CID 122375981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).