2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol

C18H28O3 — CID 172611452

IUPAC2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol
SMILESCC/C=C\CCCCCC(O)c1ccc(O)c(OCC)c1
InChIInChI=1S/C18H28O3/c1-3-5-6-7-8-9-10-11-16(19)15-12-13-17(20)18(14-15)21-4-2/h5-6,12-14,16,19-20H,3-4,7-11H2,1-2H3/b6-5-
InChIKeyTYEUBSIYLHEZIA-WAYWQWQTSA-N
MW292.42 g/mol
LogP4.74
Rot. Bonds10

About 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol

2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol (PubChem CID 172611452) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol
PubChem CID172611452
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol
SMILESCC/C=C\CCCCCC(O)c1ccc(O)c(OCC)c1
InChIInChI=1S/C18H28O3/c1-3-5-6-7-8-9-10-11-16(19)15-12-13-17(20)18(14-15)21-4-2/h5-6,12-14,16,19-20H,3-4,7-11H2,1-2H3/b6-5-
InChIKeyTYEUBSIYLHEZIA-WAYWQWQTSA-N
XLogP4.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-deca-1,7-dienyl-2-ethoxyphenol
CID 172611463
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
3-chloro-1-(3-ethoxy-4-hydroxyphenyl)propane-1,2-diol
CID 171863348
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]pentanoic acid
CID 83043577
2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
4-(2-amino-1-hydroxyethyl)-2-butoxyphenol
CID 54428460
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
CID 171200839

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol (CID 172611452) is 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol is CC/C=C\CCCCCC(O)c1ccc(O)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol?
The InChIKey is TYEUBSIYLHEZIA-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-5-6-7-8-9-10-11-16(19)15-12-13-17(20)18(14-15)21-4-2/h5-6,12-14,16,19-20H,3-4,7-11H2,1-2H3/b6-5-.
What are the key properties of 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol?
2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-1-hydroxydec-7-enyl]phenol is sourced from PubChem (CID 172611452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).