1-methoxy-2,3-dihydroindene-1-carboxylic acid

C11H12O3 — CID 22367227

IUPAC1-methoxy-2,3-dihydroindene-1-carboxylic acid
SMILESCOC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C11H12O3/c1-14-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyXAJWKPYOUSVYLC-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.56
Rot. Bonds2

About 1-methoxy-2,3-dihydroindene-1-carboxylic acid

1-methoxy-2,3-dihydroindene-1-carboxylic acid (PubChem CID 22367227) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-methoxy-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-2,3-dihydroindene-1-carboxylic acid
PubChem CID22367227
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-methoxy-2,3-dihydroindene-1-carboxylic acid
SMILESCOC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C11H12O3/c1-14-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyXAJWKPYOUSVYLC-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-methoxy-2,3-dihydroindene-1-carboxylic acid (CID 22367227) is 1-methoxy-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-methoxy-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-methoxy-2,3-dihydroindene-1-carboxylic acid is COC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-methoxy-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is XAJWKPYOUSVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 1-methoxy-2,3-dihydroindene-1-carboxylic acid?
1-methoxy-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 22367227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).