1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C12H14O2 — CID 22993784

IUPAC1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyHXSDYFDJCNPTKL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 22993784) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID22993784
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyHXSDYFDJCNPTKL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 22993784) is 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is Cc1c(C(=O)O)ccc2c1CCCC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is HXSDYFDJCNPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 22993784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).