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

C12H14O2 — CID 600258

IUPAC1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)cccc21
InChIInChI=1S/C12H14O2/c1-12(2)7-6-8-9(11(13)14)4-3-5-10(8)12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyNHAZMXHVOIDTCD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.61
Rot. Bonds1

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

1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid (PubChem CID 600258) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
PubChem CID600258
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)cccc21
InChIInChI=1S/C12H14O2/c1-12(2)7-6-8-9(11(13)14)4-3-5-10(8)12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyNHAZMXHVOIDTCD-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2-trimethyl-3H-isoindole-4-carboxylic acid
CID 175349699
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
CID 14535901
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CID 71325821
9,10-dihydroanthracene-1,5-dicarboxylic acid
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benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
3,3-dimethyl-2H-1-benzofuran-4-carboxylic acid
CID 154339711
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2-bromo-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
CID 25110016
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
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CID 14523639

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid?
The IUPAC name of 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid (CID 600258) is 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid.
What is the SMILES notation for 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid?
The canonical SMILES for 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid is CC1(C)CCc2c(C(=O)O)cccc21.
What is the InChIKey of 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid?
The InChIKey is NHAZMXHVOIDTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)7-6-8-9(11(13)14)4-3-5-10(8)12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid?
1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid is sourced from PubChem (CID 600258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).