3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene

C17H22O — CID 142096371

IUPAC3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
SMILESC=C(OCc1ccccc1)C(C)C1=CCCCC1
InChIInChI=1S/C17H22O/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3,5-6,9-11,14H,2,4,7-8,12-13H2,1H3
InChIKeyFCKXNIXILNAICA-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.85
Rot. Bonds5

About 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene

3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene (PubChem CID 142096371) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
PubChem CID142096371
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
SMILESC=C(OCc1ccccc1)C(C)C1=CCCCC1
InChIInChI=1S/C17H22O/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3,5-6,9-11,14H,2,4,7-8,12-13H2,1H3
InChIKeyFCKXNIXILNAICA-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene 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

[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
CID 101068109
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene
CID 166967540
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
benzyl 2-[cyclohexen-1-yl(methyl)amino]-4-methylpentanoate
CID 57212324
ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
CID 10424123
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
CID 15837583
tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane
CID 101185114
(1S,2S)-1-(cyclopenten-1-yl)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 10993642
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
CID 106651347
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene?
The IUPAC name of 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene (CID 142096371) is 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene.
What is the SMILES notation for 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene?
The canonical SMILES for 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene is C=C(OCc1ccccc1)C(C)C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene?
The InChIKey is FCKXNIXILNAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-14(17-11-7-4-8-12-17)15(2)18-13-16-9-5-3-6-10-16/h3,5-6,9-11,14H,2,4,7-8,12-13H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene?
3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene has a molecular weight of 242.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene is sourced from PubChem (CID 142096371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).