1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene

C14H20O3 — CID 146002715

IUPAC1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-10(2)6-7-11-8-12(15-3)14(17-5)13(9-11)16-4/h8-9H,1,6-7H2,2-5H3
InChIKeySLISDSSRTSDZBF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds6

About 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene

1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene (PubChem CID 146002715) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
PubChem CID146002715
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-10(2)6-7-11-8-12(15-3)14(17-5)13(9-11)16-4/h8-9H,1,6-7H2,2-5H3
InChIKeySLISDSSRTSDZBF-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
4-(3-hydroxy-4,5-dimethoxyphenyl)butan-2-one
CID 86067899
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
5-(10-bromodecyl)-1,2,3-trimethoxybenzene
CID 156501832

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene (CID 146002715) is 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene is C=C(C)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene?
The InChIKey is SLISDSSRTSDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)6-7-11-8-12(15-3)14(17-5)13(9-11)16-4/h8-9H,1,6-7H2,2-5H3.
What are the key properties of 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene?
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene has a molecular weight of 236.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 146002715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).