3-(methoxymethyl)naphthalene-2-carboxylic acid

C13H12O3 — CID 132596930

IUPAC3-(methoxymethyl)naphthalene-2-carboxylic acid
SMILESCOCc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H12O3/c1-16-8-11-6-9-4-2-3-5-10(9)7-12(11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeySOLUQRDCRRVWKM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.68
Rot. Bonds3

About 3-(methoxymethyl)naphthalene-2-carboxylic acid

3-(methoxymethyl)naphthalene-2-carboxylic acid (PubChem CID 132596930) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(methoxymethyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)naphthalene-2-carboxylic acid
PubChem CID132596930
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(methoxymethyl)naphthalene-2-carboxylic acid
SMILESCOCc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H12O3/c1-16-8-11-6-9-4-2-3-5-10(9)7-12(11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeySOLUQRDCRRVWKM-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
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CID 117181648
3-(3-methylbutoxycarbonyl)naphthalene-2-carboxylic acid
CID 175119361
9-(methoxymethyl)phenanthrene
CID 15557052
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548
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ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)naphthalene-2-carboxylic acid (CID 132596930) is 3-(methoxymethyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)naphthalene-2-carboxylic acid is COCc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(methoxymethyl)naphthalene-2-carboxylic acid?
The InChIKey is SOLUQRDCRRVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-8-11-6-9-4-2-3-5-10(9)7-12(11)13(14)15/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 3-(methoxymethyl)naphthalene-2-carboxylic acid?
3-(methoxymethyl)naphthalene-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 132596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).