2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde

C14H10O2 — CID 169434237

IUPAC2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
SMILESO=[13CH]c1ccccc1-c1ccccc1[13CH]=O
InChIInChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H/i9+1,10+1
InChIKeyHJFGULDHUDIPDA-OJJJIBSVSA-N
MW212.22 g/mol
LogP2.98
Rot. Bonds3

About 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde

2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde (PubChem CID 169434237) has the molecular formula C14H10O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde.

Molecular Properties

Compound Name2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
PubChem CID169434237
Molecular FormulaC14H10O2
Molecular Weight212.22 g/mol
Exact Mass212.07
IUPAC Name2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
SMILESO=[13CH]c1ccccc1-c1ccccc1[13CH]=O
InChIInChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H/i9+1,10+1
InChIKeyHJFGULDHUDIPDA-OJJJIBSVSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-(2-phenylphenyl)benzaldehyde
CID 11322869
3-(3-formylazulen-1-yl)azulene-1-carbaldehyde
CID 10591039
ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
2-(2,5-dichlorophenyl)benzaldehyde
CID 58037863
2-(4-methylfuran-3-yl)benzaldehyde
CID 131007556
carbon monoxide;chromium;2-phenylbenzaldehyde
CID 11120708
2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
CID 88602472
2-[2-(2-methylpropanoyl)phenyl]benzaldehyde
CID 174491970
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
2-(2-formylphenyl)-5-nitrobenzaldehyde
CID 102487108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde?
The IUPAC name of 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde (CID 169434237) is 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde.
What is the SMILES notation for 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde?
The canonical SMILES for 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde is O=[13CH]c1ccccc1-c1ccccc1[13CH]=O.
What is the InChIKey of 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde?
The InChIKey is HJFGULDHUDIPDA-OJJJIBSVSA-N. The full InChI is InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H/i9+1,10+1.
What are the key properties of 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde?
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde has a molecular weight of 212.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde is sourced from PubChem (CID 169434237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).