6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid

C20H24O4 — CID 150671699

IUPAC6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid
SMILESCC=COCCCCCCOc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C20H24O4/c1-2-11-23-12-5-3-4-6-13-24-19-10-9-16-14-18(20(21)22)8-7-17(16)15-19/h2,7-11,14-15H,3-6,12-13H2,1H3,(H,21,22)
InChIKeyJFZXYUPDWVSHDP-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.03
Rot. Bonds10

About 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid

6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid (PubChem CID 150671699) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid
PubChem CID150671699
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid
SMILESCC=COCCCCCCOc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C20H24O4/c1-2-11-23-12-5-3-4-6-13-24-19-10-9-16-14-18(20(21)22)8-7-17(16)15-19/h2,7-11,14-15H,3-6,12-13H2,1H3,(H,21,22)
InChIKeyJFZXYUPDWVSHDP-UHFFFAOYSA-N
XLogP5.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
6-prop-1-enoxynaphthalene-2-carboxylic acid
CID 57123185
6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
CID 134093258
[(Z)-but-2-enyl] 6-(6-formyloxyhexoxy)naphthalene-2-carboxylate
CID 145465725
6-[4-(6-carboxynaphthalen-2-yl)oxybut-3-enoxy]naphthalene-2-carboxylic acid
CID 162690447
6-chlorohexan-1-ol;6-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid;6-hydroxynaphthalene-2-carboxylic acid;methanol
CID 161289374
4-(4-formyloxybutoxy)benzoic acid
CID 143677137
4-[2-(6-pentoxynaphthalen-2-yl)ethyl]benzoic acid
CID 20632209
ethane;4-octoxybenzoic acid
CID 144740890
3-hydroxy-4-(4-naphthalen-2-yloxybutanoylamino)benzoic acid
CID 108766557
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211

Frequently Asked Questions

What is the IUPAC name of 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid (CID 150671699) is 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid is CC=COCCCCCCOc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid?
The InChIKey is JFZXYUPDWVSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-11-23-12-5-3-4-6-13-24-19-10-9-16-14-18(20(21)22)8-7-17(16)15-19/h2,7-11,14-15H,3-6,12-13H2,1H3,(H,21,22).
What are the key properties of 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid?
6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 150671699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).