7-methyl-3,4-dihydronaphthalene-1-carboxylic acid

C12H12O2 — CID 82075337

IUPAC7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C12H12O2/c1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyMQGLLTVTZIIDNI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.41
Rot. Bonds1

About 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid

7-methyl-3,4-dihydronaphthalene-1-carboxylic acid (PubChem CID 82075337) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
PubChem CID82075337
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C12H12O2/c1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyMQGLLTVTZIIDNI-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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Related Compounds

7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82081831
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82076590
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
CID 105469805
2-(7-methyl-3,4-dihydronaphthalen-1-yl)propan-2-amine
CID 105453886
1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057846
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
CID 67781269
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
5-oxocyclopentene-1-carboxylic acid
CID 19392068
N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 86608367
(1E,5E)-5-methyl-9-oxocyclonona-1,5-diene-1-carboxylic acid
CID 78426242

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid (CID 82075337) is 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid is Cc1ccc2c(c1)C(C(=O)O)=CCC2.
What is the InChIKey of 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid?
The InChIKey is MQGLLTVTZIIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid?
7-methyl-3,4-dihydronaphthalene-1-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 7-methyl-3,4-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 82075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).