2-[3-(carboxylatomethyl)phenyl]acetate

C10H8O4-2 — CID 6931669

IUPAC2-[3-(carboxylatomethyl)phenyl]acetate
SMILESO=C([O-])Cc1cccc(CC(=O)[O-])c1
InChIInChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-2
InChIKeyGDYYIJNDPMFMTB-UHFFFAOYSA-L
MW192.17 g/mol
LogP-1.73
Rot. Bonds4

About 2-[3-(carboxylatomethyl)phenyl]acetate

2-[3-(carboxylatomethyl)phenyl]acetate (PubChem CID 6931669) has the molecular formula C10H8O4-2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-[3-(carboxylatomethyl)phenyl]acetate.

Molecular Properties

Compound Name2-[3-(carboxylatomethyl)phenyl]acetate
PubChem CID6931669
Molecular FormulaC10H8O4-2
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-[3-(carboxylatomethyl)phenyl]acetate
SMILESO=C([O-])Cc1cccc(CC(=O)[O-])c1
InChIInChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-2
InChIKeyGDYYIJNDPMFMTB-UHFFFAOYSA-L
XLogP-1.73
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(carboxylatomethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)acetate
CID 3608673
2-[3-[3,5-bis(carboxylatomethyl)benzoyl]phenyl]acetate
CID 140965650
azanium 2-(3-methylphenyl)acetate
CID 141323779
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
sodium 2-(3-nitrophenyl)acetate
CID 20571503
sodium;methane;2-(3-pentylphenyl)acetate
CID 157213915
disodium;2-(3-sulfinatophenyl)acetate
CID 165453725
2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-(3-benzylphenyl)acetic acid
CID 22590987
2-(9-oxofluoren-3-yl)acetate
CID 156673919
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxylatomethyl)phenyl]acetate?
The IUPAC name of 2-[3-(carboxylatomethyl)phenyl]acetate (CID 6931669) is 2-[3-(carboxylatomethyl)phenyl]acetate.
What is the SMILES notation for 2-[3-(carboxylatomethyl)phenyl]acetate?
The canonical SMILES for 2-[3-(carboxylatomethyl)phenyl]acetate is O=C([O-])Cc1cccc(CC(=O)[O-])c1.
What is the InChIKey of 2-[3-(carboxylatomethyl)phenyl]acetate?
The InChIKey is GDYYIJNDPMFMTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-2.
What are the key properties of 2-[3-(carboxylatomethyl)phenyl]acetate?
2-[3-(carboxylatomethyl)phenyl]acetate has a molecular weight of 192.17 g/mol, XLogP of -1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxylatomethyl)phenyl]acetate is sourced from PubChem (CID 6931669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).