4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid

C17H22O4 — CID 54278748

IUPAC4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
SMILESCC(C)=CCCC(C)=CCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H22O4/c1-12(2)5-4-6-13(3)9-10-21-14-7-8-15(17(19)20)16(18)11-14/h5,7-9,11,18H,4,6,10H2,1-3H3,(H,19,20)
InChIKeyRPHGPEPWDJACFX-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.16
Rot. Bonds7

About 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid

4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid (PubChem CID 54278748) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
PubChem CID54278748
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
SMILESCC(C)=CCCC(C)=CCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H22O4/c1-12(2)5-4-6-13(3)9-10-21-14-7-8-15(17(19)20)16(18)11-14/h5,7-9,11,18H,4,6,10H2,1-3H3,(H,19,20)
InChIKeyRPHGPEPWDJACFX-UHFFFAOYSA-N
XLogP4.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic 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

4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 69130580
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]ethanone
CID 10859675
6-(3,7-dimethylocta-2,6-dienoxy)-1-benzofuran-2-carboxylic acid
CID 54108801
3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-oxopropanoic acid
CID 67490782
4-hydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethyl(113C)hexadeca-2,6,10,14-tetraenyl](13C)benzoic acid
CID 11338875
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 100960826
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
CID 5383734
3,4,7-tris[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 22854151
1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
CID 24761036
[7-(3,7-dimethylocta-2,6-dienoxy)-3-hydroxy-2-oxochromen-4-yl] acetate
CID 54151159

Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid (CID 54278748) is 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid is CC(C)=CCCC(C)=CCOc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid?
The InChIKey is RPHGPEPWDJACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-12(2)5-4-6-13(3)9-10-21-14-7-8-15(17(19)20)16(18)11-14/h5,7-9,11,18H,4,6,10H2,1-3H3,(H,19,20).
What are the key properties of 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid?
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid is sourced from PubChem (CID 54278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).