4-methoxynaphthalene-1-carboxylic acid

C12H10O3 — CID 765380

IUPAC4-methoxynaphthalene-1-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)
InChIKeyWRQHSQDGYYDRMX-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.55
Rot. Bonds2

About 4-methoxynaphthalene-1-carboxylic acid

4-methoxynaphthalene-1-carboxylic acid (PubChem CID 765380) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methoxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxynaphthalene-1-carboxylic acid
PubChem CID765380
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-methoxynaphthalene-1-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)
InChIKeyWRQHSQDGYYDRMX-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxynaphthalene-1-carboxylic acid?
The IUPAC name of 4-methoxynaphthalene-1-carboxylic acid (CID 765380) is 4-methoxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-methoxynaphthalene-1-carboxylic acid?
The canonical SMILES for 4-methoxynaphthalene-1-carboxylic acid is COc1ccc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-methoxynaphthalene-1-carboxylic acid?
The InChIKey is WRQHSQDGYYDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14).
What are the key properties of 4-methoxynaphthalene-1-carboxylic acid?
4-methoxynaphthalene-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 765380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).