4-deca-1,7-dienyl-2-ethoxyphenol

C18H26O2 — CID 172611463

IUPAC4-deca-1,7-dienyl-2-ethoxyphenol
SMILESCCC=CCCCCC=Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C18H26O2/c1-3-5-6-7-8-9-10-11-12-16-13-14-17(19)18(15-16)20-4-2/h5-6,11-15,19H,3-4,7-10H2,1-2H3
InChIKeyVEOFFBCQRKACRK-UHFFFAOYSA-N
MW274.40 g/mol
LogP5.33
Rot. Bonds9

About 4-deca-1,7-dienyl-2-ethoxyphenol

4-deca-1,7-dienyl-2-ethoxyphenol (PubChem CID 172611463) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-deca-1,7-dienyl-2-ethoxyphenol.

Molecular Properties

Compound Name4-deca-1,7-dienyl-2-ethoxyphenol
PubChem CID172611463
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-deca-1,7-dienyl-2-ethoxyphenol
SMILESCCC=CCCCCC=Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C18H26O2/c1-3-5-6-7-8-9-10-11-12-16-13-14-17(19)18(15-16)20-4-2/h5-6,11-15,19H,3-4,7-10H2,1-2H3
InChIKeyVEOFFBCQRKACRK-UHFFFAOYSA-N
XLogP5.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol
CID 172611452
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4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
CID 103091555
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
2-amino-4-hex-1-enylphenol
CID 151495931
2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 6489963
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 34049038

Frequently Asked Questions

What is the IUPAC name of 4-deca-1,7-dienyl-2-ethoxyphenol?
The IUPAC name of 4-deca-1,7-dienyl-2-ethoxyphenol (CID 172611463) is 4-deca-1,7-dienyl-2-ethoxyphenol.
What is the SMILES notation for 4-deca-1,7-dienyl-2-ethoxyphenol?
The canonical SMILES for 4-deca-1,7-dienyl-2-ethoxyphenol is CCC=CCCCCC=Cc1ccc(O)c(OCC)c1.
What is the InChIKey of 4-deca-1,7-dienyl-2-ethoxyphenol?
The InChIKey is VEOFFBCQRKACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-5-6-7-8-9-10-11-12-16-13-14-17(19)18(15-16)20-4-2/h5-6,11-15,19H,3-4,7-10H2,1-2H3.
What are the key properties of 4-deca-1,7-dienyl-2-ethoxyphenol?
4-deca-1,7-dienyl-2-ethoxyphenol has a molecular weight of 274.40 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deca-1,7-dienyl-2-ethoxyphenol is sourced from PubChem (CID 172611463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).