2-(4-methoxycarbonylphenyl)acetic acid

C10H10O4 — CID 10797879

IUPAC2-(4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChIKeyTXZVCDJZNRCDKW-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.10
Rot. Bonds3

About 2-(4-methoxycarbonylphenyl)acetic acid

2-(4-methoxycarbonylphenyl)acetic acid (PubChem CID 10797879) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(4-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylphenyl)acetic acid
PubChem CID10797879
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChIKeyTXZVCDJZNRCDKW-UHFFFAOYSA-N
XLogP1.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxycarbonylphenyl)-2-oxopropanoic acid
CID 15044862
2-[(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 57123056
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
2-[4-(1-methoxyethenyl)phenyl]acetic acid
CID 91083369
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 58127823
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
2-[3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879216
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate
CID 68998340

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-(4-methoxycarbonylphenyl)acetic acid (CID 10797879) is 2-(4-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-(4-methoxycarbonylphenyl)acetic acid is COC(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-methoxycarbonylphenyl)acetic acid?
The InChIKey is TXZVCDJZNRCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-methoxycarbonylphenyl)acetic acid?
2-(4-methoxycarbonylphenyl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 10797879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).