4-(6-methoxynaphthalene-2-carbonyl)benzoic acid

C19H14O4 — CID 70129561

IUPAC4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
SMILESCOc1ccc2cc(C(=O)c3ccc(C(=O)O)cc3)ccc2c1
InChIInChI=1S/C19H14O4/c1-23-17-9-8-14-10-16(7-6-15(14)11-17)18(20)12-2-4-13(5-3-12)19(21)22/h2-11H,1H3,(H,21,22)
InChIKeyFHGFFWUDOYVADX-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.78
Rot. Bonds4

About 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid

4-(6-methoxynaphthalene-2-carbonyl)benzoic acid (PubChem CID 70129561) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
PubChem CID70129561
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
SMILESCOc1ccc2cc(C(=O)c3ccc(C(=O)O)cc3)ccc2c1
InChIInChI=1S/C19H14O4/c1-23-17-9-8-14-10-16(7-6-15(14)11-17)18(20)12-2-4-13(5-3-12)19(21)22/h2-11H,1H3,(H,21,22)
InChIKeyFHGFFWUDOYVADX-UHFFFAOYSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 16732361
CID 16732361
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid?
The IUPAC name of 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid (CID 70129561) is 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid.
What is the SMILES notation for 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid?
The canonical SMILES for 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid is COc1ccc2cc(C(=O)c3ccc(C(=O)O)cc3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid?
The InChIKey is FHGFFWUDOYVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-23-17-9-8-14-10-16(7-6-15(14)11-17)18(20)12-2-4-13(5-3-12)19(21)22/h2-11H,1H3,(H,21,22).
What are the key properties of 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid?
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalene-2-carbonyl)benzoic acid is sourced from PubChem (CID 70129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).