7,7-dimethoxy-8H-naphthalene-2-carboxylic acid

C13H14O4 — CID 70196741

IUPAC7,7-dimethoxy-8H-naphthalene-2-carboxylic acid
SMILESCOC1(OC)C=Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C13H14O4/c1-16-13(17-2)6-5-9-3-4-10(12(14)15)7-11(9)8-13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyZUWGOSXLWDPXPC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.94
Rot. Bonds3

About 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid

7,7-dimethoxy-8H-naphthalene-2-carboxylic acid (PubChem CID 70196741) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethoxy-8H-naphthalene-2-carboxylic acid
PubChem CID70196741
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name7,7-dimethoxy-8H-naphthalene-2-carboxylic acid
SMILESCOC1(OC)C=Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C13H14O4/c1-16-13(17-2)6-5-9-3-4-10(12(14)15)7-11(9)8-13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyZUWGOSXLWDPXPC-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid
CID 163542190
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
CID 19088523
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
CID 59027888
2-bromo-3H-indene-5-carboxylic acid
CID 149393764
3,4-bis(methylperoxy)benzoic acid
CID 150438518
3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
1,2-dimethyl-3H-indazole-5-carboxylic acid
CID 86308105
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethyl]-3H-1-benzofuran-5-carboxylic acid
CID 68922509

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid?
The IUPAC name of 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid (CID 70196741) is 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid?
The canonical SMILES for 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid is COC1(OC)C=Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid?
The InChIKey is ZUWGOSXLWDPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-13(17-2)6-5-9-3-4-10(12(14)15)7-11(9)8-13/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid?
7,7-dimethoxy-8H-naphthalene-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxy-8H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 70196741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).