1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C13H16O2 — CID 84721907

IUPAC1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)CCCC2(C)C(=O)O
InChIInChI=1S/C13H16O2/c1-9-5-6-11-10(8-9)4-3-7-13(11,2)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMFWQWVQNFFLOPX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds1

About 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 84721907) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID84721907
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)CCCC2(C)C(=O)O
InChIInChI=1S/C13H16O2/c1-9-5-6-11-10(8-9)4-3-7-13(11,2)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMFWQWVQNFFLOPX-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

6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908874
(1-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 83907370
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721905
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
1-(methoxymethyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105459157
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
CID 11086513
1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 15339033

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 84721907) is 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is Cc1ccc2c(c1)CCCC2(C)C(=O)O.
What is the InChIKey of 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is MFWQWVQNFFLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-6-11-10(8-9)4-3-7-13(11,2)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1,6-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 1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 84721907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).