5-formyl-2-phenylmethoxybenzoic acid

C15H12O4 — CID 969870

IUPAC5-formyl-2-phenylmethoxybenzoic acid
SMILESO=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H12O4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)
InChIKeyFTTVXHXKTPOQDV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.78
Rot. Bonds5

About 5-formyl-2-phenylmethoxybenzoic acid

5-formyl-2-phenylmethoxybenzoic acid (PubChem CID 969870) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-formyl-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-formyl-2-phenylmethoxybenzoic acid
PubChem CID969870
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name5-formyl-2-phenylmethoxybenzoic acid
SMILESO=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H12O4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)
InChIKeyFTTVXHXKTPOQDV-UHFFFAOYSA-N
XLogP2.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.78
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

(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
CID 21051383
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
5-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-phenylmethoxybenzoic acid
CID 126061920
2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid;3-methyl-4-phenylmethoxybenzaldehyde
CID 173269771
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-formyl-2-phenylmethoxybenzoic acid (CID 969870) is 5-formyl-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-formyl-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-formyl-2-phenylmethoxybenzoic acid is O=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-formyl-2-phenylmethoxybenzoic acid?
The InChIKey is FTTVXHXKTPOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18).
What are the key properties of 5-formyl-2-phenylmethoxybenzoic acid?
5-formyl-2-phenylmethoxybenzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 969870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).