1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid

C12H14O3 — CID 112715912

IUPAC1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCc1cccc2c1CC(C)C2(O)C(=O)O
InChIInChI=1S/C12H14O3/c1-7-4-3-5-10-9(7)6-8(2)12(10,15)11(13)14/h3-5,8,15H,6H2,1-2H3,(H,13,14)
InChIKeyWHGGDIYKYRYIHB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.46
Rot. Bonds1

About 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid

1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 112715912) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID112715912
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCc1cccc2c1CC(C)C2(O)C(=O)O
InChIInChI=1S/C12H14O3/c1-7-4-3-5-10-9(7)6-8(2)12(10,15)11(13)14/h3-5,8,15H,6H2,1-2H3,(H,13,14)
InChIKeyWHGGDIYKYRYIHB-UHFFFAOYSA-N
XLogP1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylic acid
CID 83483787
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
3-(2-methylphenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 131697853
5-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22639040
methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
CID 116843020
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one
CID 15568759
2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
CID 105472702
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
1'-(3-bromoanilino)-2,4,7-trimethylspiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-carboxylic acid
CID 164581896
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid (CID 112715912) is 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid is Cc1cccc2c1CC(C)C2(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is WHGGDIYKYRYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-4-3-5-10-9(7)6-8(2)12(10,15)11(13)14/h3-5,8,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid?
1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 112715912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).