1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C13H16O2 — CID 84721905

IUPAC1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1cccc2c1C(C)(C(=O)O)CCC2
InChIInChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-13(2,11(9)10)12(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyMCOHFMAUQFJRNX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds1

About 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 84721905) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID84721905
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1cccc2c1C(C)(C(=O)O)CCC2
InChIInChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-13(2,11(9)10)12(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyMCOHFMAUQFJRNX-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721907
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
2-fluoro-8-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105461592
8-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010885
1-methyl-2-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 118389135
8-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010719
5-bromo-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 167736870
3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
CID 68537801
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 84721905) is 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is Cc1cccc2c1C(C)(C(=O)O)CCC2.
What is the InChIKey of 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is MCOHFMAUQFJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-13(2,11(9)10)12(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 204.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 84721905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).