1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene

C21H24O — CID 121335055

IUPAC1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(CC/C=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C21H24O/c1-4-7-19-14-17(2)15-20(16-19)9-6-5-8-18-10-12-21(22-3)13-11-18/h4-5,8,10-16H,1,6-7,9H2,2-3H3/b8-5+
InChIKeyQOSNHKRVRMRFPU-VMPITWQZSA-N
MW292.42 g/mol
LogP5.38
Rot. Bonds7

About 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene

1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene (PubChem CID 121335055) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene.

Molecular Properties

Compound Name1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene
PubChem CID121335055
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(CC/C=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C21H24O/c1-4-7-19-14-17(2)15-20(16-19)9-6-5-8-18-10-12-21(22-3)13-11-18/h4-5,8,10-16H,1,6-7,9H2,2-3H3/b8-5+
InChIKeyQOSNHKRVRMRFPU-VMPITWQZSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.38
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

2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
N-[(4-methoxyphenyl)methylideneamino]-1-(4-prop-2-enylphenyl)methanimine
CID 54465845
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-(bromomethyl)-3-methyl-5-prop-2-enylbenzene;ethene
CID 142401295

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene?
The IUPAC name of 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene (CID 121335055) is 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene.
What is the SMILES notation for 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene?
The canonical SMILES for 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene is C=CCc1cc(C)cc(CC/C=C/c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene?
The InChIKey is QOSNHKRVRMRFPU-VMPITWQZSA-N. The full InChI is InChI=1S/C21H24O/c1-4-7-19-14-17(2)15-20(16-19)9-6-5-8-18-10-12-21(22-3)13-11-18/h4-5,8,10-16H,1,6-7,9H2,2-3H3/b8-5+.
What are the key properties of 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene?
1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene has a molecular weight of 292.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-methoxyphenyl)but-3-enyl]-3-methyl-5-prop-2-enylbenzene is sourced from PubChem (CID 121335055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).