1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene

C15H22O2 — CID 14939551

IUPAC1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
SMILESCOc1ccc(/C=C/C(C)OC(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-12(17-15(2,3)4)6-7-13-8-10-14(16-5)11-9-13/h6-12H,1-5H3/b7-6+
InChIKeyXAMWMQSFLRQTPB-VOTSOKGWSA-N
MW234.34 g/mol
LogP3.91
Rot. Bonds4

About 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene

1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene (PubChem CID 14939551) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
PubChem CID14939551
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
SMILESCOc1ccc(/C=C/C(C)OC(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-12(17-15(2,3)4)6-7-13-8-10-14(16-5)11-9-13/h6-12H,1-5H3/b7-6+
InChIKeyXAMWMQSFLRQTPB-VOTSOKGWSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 102526815
1-methoxy-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxy]methyl]benzene
CID 102295760
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
CID 162418078

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene (CID 14939551) is 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene is COc1ccc(/C=C/C(C)OC(C)(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene?
The InChIKey is XAMWMQSFLRQTPB-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(17-15(2,3)4)6-7-13-8-10-14(16-5)11-9-13/h6-12H,1-5H3/b7-6+.
What are the key properties of 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene?
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene has a molecular weight of 234.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene is sourced from PubChem (CID 14939551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).