2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene

C14H20O — CID 83941597

IUPAC2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OC)cc1CC
InChIInChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-3)11-12(13)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyYVRKGKOVMUPUFI-XQRVVYSFSA-N
MW204.31 g/mol
LogP3.77
Rot. Bonds5

About 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene

2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene (PubChem CID 83941597) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
PubChem CID83941597
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1ccc(OC)cc1CC
InChIInChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-3)11-12(13)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-
InChIKeyYVRKGKOVMUPUFI-XQRVVYSFSA-N
XLogP3.77
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 ≤ 53.77
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-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591
(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine
CID 10752516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene (CID 83941597) is 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1ccc(OC)cc1CC.
What is the InChIKey of 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene?
The InChIKey is YVRKGKOVMUPUFI-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H20O/c1-4-6-7-8-13-9-10-14(15-3)11-12(13)5-2/h4,6,9-11H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene?
2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83941597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).