1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

C11H13ClO2 — CID 67808987

IUPAC1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2ccccc2C1
InChIInChI=1S/C11H12O2.ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-4,10H,5-7H2,(H,12,13);1H
InChIKeyXHPSBBQPZKCKET-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.30
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 67808987) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID67808987
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2ccccc2C1
InChIInChI=1S/C11H12O2.ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-4,10H,5-7H2,(H,12,13);1H
InChIKeyXHPSBBQPZKCKET-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
tetrabenzylazanium;1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 139892813
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (CID 67808987) is 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is XHPSBBQPZKCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-4,10H,5-7H2,(H,12,13);1H.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67808987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).