6-(8-methoxyoctyl)naphthalene-2-carboxylic acid

C20H26O3 — CID 151877744

IUPAC6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
SMILESCOCCCCCCCCc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C20H26O3/c1-23-13-7-5-3-2-4-6-8-16-9-10-18-15-19(20(21)22)12-11-17(18)14-16/h9-12,14-15H,2-8,13H2,1H3,(H,21,22)
InChIKeySOAUAMZWIKPAGF-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.07
Rot. Bonds10

About 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid

6-(8-methoxyoctyl)naphthalene-2-carboxylic acid (PubChem CID 151877744) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
PubChem CID151877744
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
SMILESCOCCCCCCCCc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C20H26O3/c1-23-13-7-5-3-2-4-6-8-16-9-10-18-15-19(20(21)22)12-11-17(18)14-16/h9-12,14-15H,2-8,13H2,1H3,(H,21,22)
InChIKeySOAUAMZWIKPAGF-UHFFFAOYSA-N
XLogP5.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-pentoxynaphthalen-2-yl)ethyl]benzoic acid
CID 20632209
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
6-(acetyloxymethyl)naphthalene-2-carboxylic acid
CID 15589960
N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide
CID 20655663
(2R,3S)-4-hydroxy-3-(methoxymethoxy)-5,5-dimethyl-2-(5-naphthalen-2-ylpentoxy)hexanoic acid
CID 57233375
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
9-(6-methylnaphthalen-2-yl)nonyl acetate
CID 171920221
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115

Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid (CID 151877744) is 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid is COCCCCCCCCc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid?
The InChIKey is SOAUAMZWIKPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-23-13-7-5-3-2-4-6-8-16-9-10-18-15-19(20(21)22)12-11-17(18)14-16/h9-12,14-15H,2-8,13H2,1H3,(H,21,22).
What are the key properties of 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid?
6-(8-methoxyoctyl)naphthalene-2-carboxylic acid has a molecular weight of 314.43 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxyoctyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 151877744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).