2-(3-formylphenoxy)benzoic acid

C14H10O4 — CID 87842152

IUPAC2-(3-formylphenoxy)benzoic acid
SMILESO=Cc1cccc(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H10O4/c15-9-10-4-3-5-11(8-10)18-13-7-2-1-6-12(13)14(16)17/h1-9H,(H,16,17)
InChIKeyRQOMGYSCJUTEGN-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-formylphenoxy)benzoic acid

2-(3-formylphenoxy)benzoic acid (PubChem CID 87842152) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(3-formylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-(3-formylphenoxy)benzoic acid
PubChem CID87842152
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name2-(3-formylphenoxy)benzoic acid
SMILESO=Cc1cccc(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H10O4/c15-9-10-4-3-5-11(8-10)18-13-7-2-1-6-12(13)14(16)17/h1-9H,(H,16,17)
InChIKeyRQOMGYSCJUTEGN-UHFFFAOYSA-N
XLogP2.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylphenoxy)benzoic acid
CID 19374993
2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
benzoic acid;2-phenoxybenzoic acid
CID 160712085
3-(2,4,5-trichlorophenoxy)benzaldehyde
CID 63942666
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
bis(3-formylphenyl) oxalate
CID 10968521
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
3-(4-benzoyl-2-nitrophenoxy)benzaldehyde
CID 9281409

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)benzoic acid?
The IUPAC name of 2-(3-formylphenoxy)benzoic acid (CID 87842152) is 2-(3-formylphenoxy)benzoic acid.
What is the SMILES notation for 2-(3-formylphenoxy)benzoic acid?
The canonical SMILES for 2-(3-formylphenoxy)benzoic acid is O=Cc1cccc(Oc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(3-formylphenoxy)benzoic acid?
The InChIKey is RQOMGYSCJUTEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-10-4-3-5-11(8-10)18-13-7-2-1-6-12(13)14(16)17/h1-9H,(H,16,17).
What are the key properties of 2-(3-formylphenoxy)benzoic acid?
2-(3-formylphenoxy)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)benzoic acid is sourced from PubChem (CID 87842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).