2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid

C16H14O4 — CID 138058935

IUPAC2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)c2cccc(C=O)c2)cc1
InChIInChI=1S/C16H14O4/c1-20-14-7-5-12(6-8-14)15(16(18)19)13-4-2-3-11(9-13)10-17/h2-10,15H,1H3,(H,18,19)
InChIKeyZRKAYABTYRSCHJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.72
Rot. Bonds5

About 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid

2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid (PubChem CID 138058935) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid
PubChem CID138058935
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)c2cccc(C=O)c2)cc1
InChIInChI=1S/C16H14O4/c1-20-14-7-5-12(6-8-14)15(16(18)19)13-4-2-3-11(9-13)10-17/h2-10,15H,1H3,(H,18,19)
InChIKeyZRKAYABTYRSCHJ-UHFFFAOYSA-N
XLogP2.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.72
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

2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid
CID 142375762
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
butanoic acid;3-methoxybenzaldehyde
CID 143463014
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid (CID 138058935) is 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)c2cccc(C=O)c2)cc1.
What is the InChIKey of 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is ZRKAYABTYRSCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-14-7-5-12(6-8-14)15(16(18)19)13-4-2-3-11(9-13)10-17/h2-10,15H,1H3,(H,18,19).
What are the key properties of 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid?
2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 138058935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).