6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

C11H13ClO3 — CID 67783530

IUPAC6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCOc1cc2c(cc1C(=O)O)CCC2.Cl
InChIInChI=1S/C11H12O3.ClH/c1-14-10-6-8-4-2-3-7(8)5-9(10)11(12)13;/h5-6H,2-4H2,1H3,(H,12,13);1H
InChIKeyRXASZQHQVFPZNR-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.30
Rot. Bonds2

About 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (PubChem CID 67783530) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
PubChem CID67783530
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCOc1cc2c(cc1C(=O)O)CCC2.Cl
InChIInChI=1S/C11H12O3.ClH/c1-14-10-6-8-4-2-3-7(8)5-9(10)11(12)13;/h5-6H,2-4H2,1H3,(H,12,13);1H
InChIKeyRXASZQHQVFPZNR-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
2-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956831
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
CID 12738480
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 117209612
6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 125449044
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 57422331
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
6-methoxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 146564820
5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
CID 139940214

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The IUPAC name of 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (CID 67783530) is 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is COc1cc2c(cc1C(=O)O)CCC2.Cl.
What is the InChIKey of 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The InChIKey is RXASZQHQVFPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.ClH/c1-14-10-6-8-4-2-3-7(8)5-9(10)11(12)13;/h5-6H,2-4H2,1H3,(H,12,13);1H.
What are the key properties of 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride has a molecular weight of 228.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 67783530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).