5-methoxy-1H-indene-1-carboxylic acid

C11H10O3 — CID 82158116

IUPAC5-methoxy-1H-indene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C=CC2C(=O)O
InChIInChI=1S/C11H10O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h2-6,10H,1H3,(H,12,13)
InChIKeyGJJVOQRKKDNTDA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.89
Rot. Bonds2

About 5-methoxy-1H-indene-1-carboxylic acid

5-methoxy-1H-indene-1-carboxylic acid (PubChem CID 82158116) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-methoxy-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1H-indene-1-carboxylic acid
PubChem CID82158116
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-methoxy-1H-indene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C=CC2C(=O)O
InChIInChI=1S/C11H10O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h2-6,10H,1H3,(H,12,13)
InChIKeyGJJVOQRKKDNTDA-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-1H-indene-1-carboxylic 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

5-methoxy-1H-inden-1-amine
CID 82157971
6-methoxy-1-methyl-1,2-dihydronaphthalene
CID 22667820
1-(6-methoxy-1H-inden-1-yl)ethanol
CID 90078900
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
2,6-dimethoxy-9H-xanthene-9-carboxylic acid
CID 23283018
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
(2S,3S)-3-(3-methoxyphenyl)oxirane-2-carboxylic acid
CID 95212337
1-chloro-6-methoxy-2-methyl-1H-isoquinoline
CID 141404601
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
4-(3,5-dimethoxyphenyl)-2-oxocyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175352859
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-indene-1-carboxylic acid?
The IUPAC name of 5-methoxy-1H-indene-1-carboxylic acid (CID 82158116) is 5-methoxy-1H-indene-1-carboxylic acid.
What is the SMILES notation for 5-methoxy-1H-indene-1-carboxylic acid?
The canonical SMILES for 5-methoxy-1H-indene-1-carboxylic acid is COc1ccc2c(c1)C=CC2C(=O)O.
What is the InChIKey of 5-methoxy-1H-indene-1-carboxylic acid?
The InChIKey is GJJVOQRKKDNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h2-6,10H,1H3,(H,12,13).
What are the key properties of 5-methoxy-1H-indene-1-carboxylic acid?
5-methoxy-1H-indene-1-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-indene-1-carboxylic acid is sourced from PubChem (CID 82158116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).