5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C13H16O4 — CID 10561783

IUPAC5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1OC)CCCC2C(=O)O
InChIInChI=1S/C13H16O4/c1-16-11-7-6-8-9(12(11)17-2)4-3-5-10(8)13(14)15/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyLTADDCJNWOBQBR-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds3

About 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 10561783) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID10561783
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1OC)CCCC2C(=O)O
InChIInChI=1S/C13H16O4/c1-16-11-7-6-8-9(12(11)17-2)4-3-5-10(8)13(14)15/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyLTADDCJNWOBQBR-UHFFFAOYSA-N
XLogP2.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
4,5-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid;3-phenylpiperidin-4-amine
CID 69335608
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 167731553
6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82127851
methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 124559713
methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
3-amino-6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82159257
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 10561783) is 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is COc1ccc2c(c1OC)CCCC2C(=O)O.
What is the InChIKey of 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is LTADDCJNWOBQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-11-7-6-8-9(12(11)17-2)4-3-5-10(8)13(14)15/h6-7,10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 10561783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).