1-(4-ethoxyphenyl)pent-4-en-1-ol

C13H18O2 — CID 115804789

IUPAC1-(4-ethoxyphenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1ccc(OCC)cc1
InChIInChI=1S/C13H18O2/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13-14H,1,4-6H2,2H3
InChIKeyAUFGWUPELKSEPY-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-ethoxyphenyl)pent-4-en-1-ol

1-(4-ethoxyphenyl)pent-4-en-1-ol (PubChem CID 115804789) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)pent-4-en-1-ol
PubChem CID115804789
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-ethoxyphenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1ccc(OCC)cc1
InChIInChI=1S/C13H18O2/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13-14H,1,4-6H2,2H3
InChIKeyAUFGWUPELKSEPY-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)pent-4-en-1-ol 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

(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
1-(4-ethoxyphenyl)-4-methylsulfanylbutan-1-ol
CID 103089990
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-(aziridin-1-yl)-4-(4-ethoxyphenyl)-4-hydroxybutan-1-one
CID 112510367
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)pent-4-en-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)pent-4-en-1-ol (CID 115804789) is 1-(4-ethoxyphenyl)pent-4-en-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)pent-4-en-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)pent-4-en-1-ol is C=CCCC(O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)pent-4-en-1-ol?
The InChIKey is AUFGWUPELKSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13-14H,1,4-6H2,2H3.
What are the key properties of 1-(4-ethoxyphenyl)pent-4-en-1-ol?
1-(4-ethoxyphenyl)pent-4-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)pent-4-en-1-ol is sourced from PubChem (CID 115804789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).