1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene

C16H20O — CID 87976162

IUPAC1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCCC1=CCC=C1
InChIInChI=1S/C16H20O/c1-2-17-16-13-6-5-11-15(16)12-7-10-14-8-3-4-9-14/h3,5-6,8-9,11,13H,2,4,7,10,12H2,1H3
InChIKeyJDDADIQPYOUKBG-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.29
Rot. Bonds6

About 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene

1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene (PubChem CID 87976162) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene
PubChem CID87976162
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCCC1=CCC=C1
InChIInChI=1S/C16H20O/c1-2-17-16-13-6-5-11-15(16)12-7-10-14-8-3-4-9-14/h3,5-6,8-9,11,13H,2,4,7,10,12H2,1H3
InChIKeyJDDADIQPYOUKBG-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene 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

1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
1-(cyclopenta-1,4-dien-1-ylmethyl)-2-pentylbenzene
CID 173364149
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
3-(2-ethoxyphenyl)propyl methanesulfonate
CID 19688465
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
2-heptadecylcyclopenta-1,3-diene
CID 91156945
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene?
The IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene (CID 87976162) is 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene.
What is the SMILES notation for 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene?
The canonical SMILES for 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene is CCOc1ccccc1CCCC1=CCC=C1.
What is the InChIKey of 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene?
The InChIKey is JDDADIQPYOUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-17-16-13-6-5-11-15(16)12-7-10-14-8-3-4-9-14/h3,5-6,8-9,11,13H,2,4,7,10,12H2,1H3.
What are the key properties of 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene?
1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene has a molecular weight of 228.33 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene is sourced from PubChem (CID 87976162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).