1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene

C15H22O3 — CID 142222347

IUPAC1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
SMILESCCC(C)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22O3/c1-6-11(2)7-8-12-9-13(16-3)15(18-5)14(10-12)17-4/h7-11H,6H2,1-5H3/b8-7+
InChIKeyLSUVFKMHVXGGON-BQYQJAHWSA-N
MW250.34 g/mol
LogP3.77
Rot. Bonds6

About 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene

1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene (PubChem CID 142222347) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
PubChem CID142222347
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
SMILESCCC(C)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22O3/c1-6-11(2)7-8-12-9-13(16-3)15(18-5)14(10-12)17-4/h7-11H,6H2,1-5H3/b8-7+
InChIKeyLSUVFKMHVXGGON-BQYQJAHWSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene
CID 178114077
(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 6446799
4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 3045164
[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (2S)-2-methylbutanoate
CID 163106733
(E)-N-(1-hydroxypropan-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 5355806
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
(1R,2R)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 162926503
2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 14018328
1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
CID 162885945
2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
CID 163188790

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene (CID 142222347) is 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene is CCC(C)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene?
The InChIKey is LSUVFKMHVXGGON-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-11(2)7-8-12-9-13(16-3)15(18-5)14(10-12)17-4/h7-11H,6H2,1-5H3/b8-7+.
What are the key properties of 1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene?
1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene has a molecular weight of 250.34 g/mol, XLogP of 3.77, 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-[(E)-3-methylpent-1-enyl]benzene is sourced from PubChem (CID 142222347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).