4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene

C14H20O — CID 83936665

IUPAC4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OCC)cc1C
InChIInChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-5-2)11-12(13)3/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyIGCLXARCHRJSEV-XQRVVYSFSA-N
MW204.31 g/mol
LogP3.90
Rot. Bonds5

About 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene

4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene (PubChem CID 83936665) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
PubChem CID83936665
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OCC)cc1C
InChIInChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-5-2)11-12(13)3/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyIGCLXARCHRJSEV-XQRVVYSFSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83940881
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
CID 83941597
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene (CID 83936665) is 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1ccc(OCC)cc1C.
What is the InChIKey of 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene?
The InChIKey is IGCLXARCHRJSEV-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-5-2)11-12(13)3/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene?
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83936665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).