8-methoxy-1-methylnaphthalene-2-carboxylic acid

C13H12O3 — CID 115057552

IUPAC8-methoxy-1-methylnaphthalene-2-carboxylic acid
SMILESCOc1cccc2ccc(C(=O)O)c(C)c12
InChIInChI=1S/C13H12O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyRBGLJPSFGHFBHI-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.86
Rot. Bonds2

About 8-methoxy-1-methylnaphthalene-2-carboxylic acid

8-methoxy-1-methylnaphthalene-2-carboxylic acid (PubChem CID 115057552) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 8-methoxy-1-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-methylnaphthalene-2-carboxylic acid
PubChem CID115057552
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name8-methoxy-1-methylnaphthalene-2-carboxylic acid
SMILESCOc1cccc2ccc(C(=O)O)c(C)c12
InChIInChI=1S/C13H12O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyRBGLJPSFGHFBHI-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-dimethylnaphthalene-2-carboxylic acid
CID 115057529
4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174530464
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
CID 174558814
2,3-dimethylterephthalic acid
CID 158313107
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
methyl 3-methoxy-2-methylbenzoate
CID 12527049
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 8-methoxy-1-methylnaphthalene-2-carboxylic acid (CID 115057552) is 8-methoxy-1-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 8-methoxy-1-methylnaphthalene-2-carboxylic acid is COc1cccc2ccc(C(=O)O)c(C)c12.
What is the InChIKey of 8-methoxy-1-methylnaphthalene-2-carboxylic acid?
The InChIKey is RBGLJPSFGHFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-10(13(14)15)7-6-9-4-3-5-11(16-2)12(8)9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-1-methylnaphthalene-2-carboxylic acid?
8-methoxy-1-methylnaphthalene-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).