1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene

C19H22O — CID 22991130

IUPAC1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
SMILESCCC/C=C/c1ccc(Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H22O/c1-3-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(4-2)9-13-18/h6-15H,3-5H2,1-2H3/b7-6+
InChIKeyGAQMTQABXDHEOA-VOTSOKGWSA-N
MW266.38 g/mol
LogP5.85
Rot. Bonds6

About 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene

1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene (PubChem CID 22991130) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
PubChem CID22991130
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
SMILESCCC/C=C/c1ccc(Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H22O/c1-3-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(4-2)9-13-18/h6-15H,3-5H2,1-2H3/b7-6+
InChIKeyGAQMTQABXDHEOA-VOTSOKGWSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[(E)-pent-1-enoxy]benzene
CID 89304305
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
4-[(E)-pent-1-enyl]phenol
CID 15576502
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
trimethyl-[4-[(E)-non-1-enyl]phenoxy]silane
CID 101261790
1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene
CID 172769855
1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
CID 140835221

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene?
The IUPAC name of 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene (CID 22991130) is 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene?
The canonical SMILES for 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene is CCC/C=C/c1ccc(Oc2ccc(CC)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene?
The InChIKey is GAQMTQABXDHEOA-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H22O/c1-3-5-6-7-17-10-14-19(15-11-17)20-18-12-8-16(4-2)9-13-18/h6-15H,3-5H2,1-2H3/b7-6+.
What are the key properties of 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene?
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene has a molecular weight of 266.38 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene is sourced from PubChem (CID 22991130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).