2-acetyl-6-methoxynaphthalene-1-carboxylic acid

C14H12O4 — CID 90348531

IUPAC2-acetyl-6-methoxynaphthalene-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c(C(C)=O)ccc2c1
InChIInChI=1S/C14H12O4/c1-8(15)11-5-3-9-7-10(18-2)4-6-12(9)13(11)14(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyQTLOXWXJKQCCBF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.75
Rot. Bonds3

About 2-acetyl-6-methoxynaphthalene-1-carboxylic acid

2-acetyl-6-methoxynaphthalene-1-carboxylic acid (PubChem CID 90348531) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-acetyl-6-methoxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-6-methoxynaphthalene-1-carboxylic acid
PubChem CID90348531
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-acetyl-6-methoxynaphthalene-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c(C(C)=O)ccc2c1
InChIInChI=1S/C14H12O4/c1-8(15)11-5-3-9-7-10(18-2)4-6-12(9)13(11)14(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyQTLOXWXJKQCCBF-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
4-acetylbenzene-1,2,3-tricarboxylic acid
CID 57156687
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
6-bromonaphthalene-1,2-dicarboxylic acid
CID 90010448
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
CID 89131799

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methoxynaphthalene-1-carboxylic acid?
The IUPAC name of 2-acetyl-6-methoxynaphthalene-1-carboxylic acid (CID 90348531) is 2-acetyl-6-methoxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-acetyl-6-methoxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2-acetyl-6-methoxynaphthalene-1-carboxylic acid is COc1ccc2c(C(=O)O)c(C(C)=O)ccc2c1.
What is the InChIKey of 2-acetyl-6-methoxynaphthalene-1-carboxylic acid?
The InChIKey is QTLOXWXJKQCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-8(15)11-5-3-9-7-10(18-2)4-6-12(9)13(11)14(16)17/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-acetyl-6-methoxynaphthalene-1-carboxylic acid?
2-acetyl-6-methoxynaphthalene-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methoxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 90348531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).