5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H14O3 — CID 12728224

IUPAC5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C2
InChIInChI=1S/C12H14O3/c1-15-11-4-2-3-8-7-9(12(13)14)5-6-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)
InChIKeyWYCIVOOAIQZDGE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.88
Rot. Bonds2

About 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 12728224) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID12728224
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C2
InChIInChI=1S/C12H14O3/c1-15-11-4-2-3-8-7-9(12(13)14)5-6-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)
InChIKeyWYCIVOOAIQZDGE-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
9-methoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid
CID 82388638
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
CID 10729760
(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 123510289
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
5-sulfo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 22003034
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 12728224) is 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is COc1cccc2c1CCC(C(=O)O)C2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is WYCIVOOAIQZDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11-4-2-3-8-7-9(12(13)14)5-6-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 12728224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).