2-formyl-6-phenylbenzoic acid

C14H10O3 — CID 18003803

IUPAC2-formyl-6-phenylbenzoic acid
SMILESO=Cc1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C14H10O3/c15-9-11-7-4-8-12(13(11)14(16)17)10-5-2-1-3-6-10/h1-9H,(H,16,17)
InChIKeyDUFHZKYQXUMFIC-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.86
Rot. Bonds3

About 2-formyl-6-phenylbenzoic acid

2-formyl-6-phenylbenzoic acid (PubChem CID 18003803) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-formyl-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-formyl-6-phenylbenzoic acid
PubChem CID18003803
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name2-formyl-6-phenylbenzoic acid
SMILESO=Cc1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C14H10O3/c15-9-11-7-4-8-12(13(11)14(16)17)10-5-2-1-3-6-10/h1-9H,(H,16,17)
InChIKeyDUFHZKYQXUMFIC-UHFFFAOYSA-N
XLogP2.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.86
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

2-(2-phenylphenyl)benzaldehyde
CID 11322869
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-benzoyl-6-phenylbenzoic acid
CID 174388121
carbon monoxide;chromium;2-phenylbenzaldehyde
CID 11120708
2-phenacyl-6-phenylbenzoic acid
CID 59608656
2-[4-[[3,5-bis[[4-(2-carboxy-3-phenylphenyl)phenyl]methyl]-2,4,6-triethylphenyl]methyl]phenyl]-6-phenylbenzoic acid
CID 102444686
2-(3-formyl-2-phenylbenzoyl)benzoic acid
CID 54165069
2-cyano-6-formylbenzoic acid
CID 130839915
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248
2,3-dibenzoylbenzaldehyde
CID 54496315
anthracene;3-phenylphthalic acid
CID 161382372
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237

Frequently Asked Questions

What is the IUPAC name of 2-formyl-6-phenylbenzoic acid?
The IUPAC name of 2-formyl-6-phenylbenzoic acid (CID 18003803) is 2-formyl-6-phenylbenzoic acid.
What is the SMILES notation for 2-formyl-6-phenylbenzoic acid?
The canonical SMILES for 2-formyl-6-phenylbenzoic acid is O=Cc1cccc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-formyl-6-phenylbenzoic acid?
The InChIKey is DUFHZKYQXUMFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-9-11-7-4-8-12(13(11)14(16)17)10-5-2-1-3-6-10/h1-9H,(H,16,17).
What are the key properties of 2-formyl-6-phenylbenzoic acid?
2-formyl-6-phenylbenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6-phenylbenzoic acid is sourced from PubChem (CID 18003803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).