1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene

C14H18O — CID 134968681

IUPAC1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene
SMILESCOc1ccc(C=C=C(C)C(C)C)cc1
InChIInChI=1S/C14H18O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h6-11H,1-4H3
InChIKeyXDJIVZJNJPZTHG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene

1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene (PubChem CID 134968681) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene
PubChem CID134968681
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene
SMILESCOc1ccc(C=C=C(C)C(C)C)cc1
InChIInChI=1S/C14H18O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h6-11H,1-4H3
InChIKeyXDJIVZJNJPZTHG-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(4-methoxyphenyl)-2-methylbuta-2,3-dienoate
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CID 76573307
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
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CID 164686963
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
CID 177396976
CID 177396976
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
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1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
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2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene?
The IUPAC name of 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene (CID 134968681) is 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene?
The canonical SMILES for 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene is COc1ccc(C=C=C(C)C(C)C)cc1.
What is the InChIKey of 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene?
The InChIKey is XDJIVZJNJPZTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h6-11H,1-4H3.
What are the key properties of 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene?
1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpenta-1,2-dienyl)-4-methoxybenzene is sourced from PubChem (CID 134968681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).