1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene

C12H16O2 — CID 15353455

IUPAC1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
SMILESCOc1ccc(C=C(C)C)cc1OC
InChIInChI=1S/C12H16O2/c1-9(2)7-10-5-6-11(13-3)12(8-10)14-4/h5-8H,1-4H3
InChIKeyBALIRGPBBQYUCG-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.13
Rot. Bonds3

About 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene

1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene (PubChem CID 15353455) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
PubChem CID15353455
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
SMILESCOc1ccc(C=C(C)C)cc1OC
InChIInChI=1S/C12H16O2/c1-9(2)7-10-5-6-11(13-3)12(8-10)14-4/h5-8H,1-4H3
InChIKeyBALIRGPBBQYUCG-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3E)-2,3-bis[(3,4-dimethoxyphenyl)methylidene]butanedial
CID 87976000
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
CID 102068140
CID 102068140
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene?
The IUPAC name of 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene (CID 15353455) is 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene is COc1ccc(C=C(C)C)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene?
The InChIKey is BALIRGPBBQYUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)7-10-5-6-11(13-3)12(8-10)14-4/h5-8H,1-4H3.
What are the key properties of 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene?
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene has a molecular weight of 192.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 15353455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).