1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene

C13H18O — CID 10375267

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C/C(C)(C)C
InChIInChI=1S/C13H18O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-10H,1-4H3/b10-9+
InChIKeyYYGXFINSXQFWBQ-MDZDMXLPSA-N
MW190.29 g/mol
LogP3.75
Rot. Bonds2

About 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene

1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene (PubChem CID 10375267) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
PubChem CID10375267
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C/C(C)(C)C
InChIInChI=1S/C13H18O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-10H,1-4H3/b10-9+
InChIKeyYYGXFINSXQFWBQ-MDZDMXLPSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
CID 101454331
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene (CID 10375267) is 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene is COc1ccccc1/C=C/C(C)(C)C.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene?
The InChIKey is YYGXFINSXQFWBQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-10H,1-4H3/b10-9+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene?
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene is sourced from PubChem (CID 10375267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).