1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene

C19H22O — CID 142468495

IUPAC1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene
SMILESC=CCOc1ccccc1CCc1cccc(CC)c1
InChIInChI=1S/C19H22O/c1-3-14-20-19-11-6-5-10-18(19)13-12-17-9-7-8-16(4-2)15-17/h3,5-11,15H,1,4,12-14H2,2H3
InChIKeyWSCAPQJQWSQPKN-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.60
Rot. Bonds7

About 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene

1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene (PubChem CID 142468495) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene
PubChem CID142468495
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene
SMILESC=CCOc1ccccc1CCc1cccc(CC)c1
InChIInChI=1S/C19H22O/c1-3-14-20-19-11-6-5-10-18(19)13-12-17-9-7-8-16(4-2)15-17/h3,5-11,15H,1,4,12-14H2,2H3
InChIKeyWSCAPQJQWSQPKN-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.60
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

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 2244886
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556795

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene?
The IUPAC name of 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene (CID 142468495) is 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene is C=CCOc1ccccc1CCc1cccc(CC)c1.
What is the InChIKey of 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene?
The InChIKey is WSCAPQJQWSQPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-3-14-20-19-11-6-5-10-18(19)13-12-17-9-7-8-16(4-2)15-17/h3,5-11,15H,1,4,12-14H2,2H3.
What are the key properties of 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene?
1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene is sourced from PubChem (CID 142468495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).