2-(3-ethylideneinden-1-yl)acetic acid

C13H12O2 — CID 153373284

IUPAC2-(3-ethylideneinden-1-yl)acetic acid
SMILESCC=C1C=C(CC(=O)O)c2ccccc21
InChIInChI=1S/C13H12O2/c1-2-9-7-10(8-13(14)15)12-6-4-3-5-11(9)12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyGCDXWUJVVAJTPQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-ethylideneinden-1-yl)acetic acid

2-(3-ethylideneinden-1-yl)acetic acid (PubChem CID 153373284) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3-ethylideneinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethylideneinden-1-yl)acetic acid
PubChem CID153373284
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-(3-ethylideneinden-1-yl)acetic acid
SMILESCC=C1C=C(CC(=O)O)c2ccccc21
InChIInChI=1S/C13H12O2/c1-2-9-7-10(8-13(14)15)12-6-4-3-5-11(9)12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyGCDXWUJVVAJTPQ-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-ethylideneinden-1-yl)acetic acid 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-oxoinden-1-yl)acetic acid
CID 141275654
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[(3E)-6-fluoro-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]inden-1-yl]acetic acid
CID 25034330
2-(2-methylphenyl)acetic acid
CID 67440217
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
ethyl (3E)-3-ethylidene-4-oxo-5-phenylcyclopentene-1-carboxylate
CID 100962875
2-[(1E)-1-ethylidene-3-oxoisoindol-2-yl]acetic acid
CID 137320896
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylideneinden-1-yl)acetic acid?
The IUPAC name of 2-(3-ethylideneinden-1-yl)acetic acid (CID 153373284) is 2-(3-ethylideneinden-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethylideneinden-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethylideneinden-1-yl)acetic acid is CC=C1C=C(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(3-ethylideneinden-1-yl)acetic acid?
The InChIKey is GCDXWUJVVAJTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-9-7-10(8-13(14)15)12-6-4-3-5-11(9)12/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethylideneinden-1-yl)acetic acid?
2-(3-ethylideneinden-1-yl)acetic acid has a molecular weight of 200.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylideneinden-1-yl)acetic acid is sourced from PubChem (CID 153373284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).