1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene

C13H18O2 — CID 54284542

IUPAC1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
SMILESCOc1cccc(OC)c1CC=C(C)C
InChIInChI=1S/C13H18O2/c1-10(2)8-9-11-12(14-3)6-5-7-13(11)15-4/h5-8H,9H2,1-4H3
InChIKeyRTEHSDRXZHXXTG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds4

About 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene

1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene (PubChem CID 54284542) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
PubChem CID54284542
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
SMILESCOc1cccc(OC)c1CC=C(C)C
InChIInChI=1S/C13H18O2/c1-10(2)8-9-11-12(14-3)6-5-7-13(11)15-4/h5-8H,9H2,1-4H3
InChIKeyRTEHSDRXZHXXTG-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
CID 67666661
(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
CID 10586794
2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
CID 67665909
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
CID 171049127
[(E)-3-(2,6-dimethoxyphenyl)prop-1-enyl] acetate
CID 135001864
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
CID 119094700
5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol
CID 73212224
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene?
The IUPAC name of 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene (CID 54284542) is 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene?
The canonical SMILES for 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene is COc1cccc(OC)c1CC=C(C)C.
What is the InChIKey of 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene?
The InChIKey is RTEHSDRXZHXXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)8-9-11-12(14-3)6-5-7-13(11)15-4/h5-8H,9H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene?
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene has a molecular weight of 206.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene is sourced from PubChem (CID 54284542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).