5-methyl-3,4-dihydronaphthalene-2-carboxylic acid

C12H12O2 — CID 83829067

IUPAC5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)=C2
InChIInChI=1S/C12H12O2/c1-8-3-2-4-9-7-10(12(13)14)5-6-11(8)9/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyZBUDAUXHQXPUAX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.41
Rot. Bonds1

About 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid

5-methyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 83829067) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID83829067
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)=C2
InChIInChI=1S/C12H12O2/c1-8-3-2-4-9-7-10(12(13)14)5-6-11(8)9/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyZBUDAUXHQXPUAX-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 83829067) is 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid is Cc1cccc2c1CCC(C(=O)O)=C2.
What is the InChIKey of 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is ZBUDAUXHQXPUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-3-2-4-9-7-10(12(13)14)5-6-11(8)9/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
5-methyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 83829067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).