1-hex-3-ynyl-2,3,4-trimethoxybenzene

C15H20O3 — CID 83934105

IUPAC1-hex-3-ynyl-2,3,4-trimethoxybenzene
SMILESCCC#CCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H20O3/c1-5-6-7-8-9-12-10-11-13(16-2)15(18-4)14(12)17-3/h10-11H,5,8-9H2,1-4H3
InChIKeyDRYLCGRZRLRMFE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.06
Rot. Bonds5

About 1-hex-3-ynyl-2,3,4-trimethoxybenzene

1-hex-3-ynyl-2,3,4-trimethoxybenzene (PubChem CID 83934105) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-hex-3-ynyl-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-hex-3-ynyl-2,3,4-trimethoxybenzene
PubChem CID83934105
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-hex-3-ynyl-2,3,4-trimethoxybenzene
SMILESCCC#CCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H20O3/c1-5-6-7-8-9-12-10-11-13(16-2)15(18-4)14(12)17-3/h10-11H,5,8-9H2,1-4H3
InChIKeyDRYLCGRZRLRMFE-UHFFFAOYSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hept-3-ynyl-2,3,4-trimethoxybenzene
CID 83934109
4-fluoro-2-hex-3-ynyl-1-methoxybenzene
CID 83943934
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
3-(2-chloro-3,4-dimethoxyphenyl)propanenitrile
CID 142496645
N-[(2,3,4-trimethoxyphenyl)methyl]but-2-yn-1-amine
CID 115866344
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65302821
1,3-diethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110935047
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
CID 46930718

Frequently Asked Questions

What is the IUPAC name of 1-hex-3-ynyl-2,3,4-trimethoxybenzene?
The IUPAC name of 1-hex-3-ynyl-2,3,4-trimethoxybenzene (CID 83934105) is 1-hex-3-ynyl-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-hex-3-ynyl-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-hex-3-ynyl-2,3,4-trimethoxybenzene is CCC#CCCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1-hex-3-ynyl-2,3,4-trimethoxybenzene?
The InChIKey is DRYLCGRZRLRMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-6-7-8-9-12-10-11-13(16-2)15(18-4)14(12)17-3/h10-11H,5,8-9H2,1-4H3.
What are the key properties of 1-hex-3-ynyl-2,3,4-trimethoxybenzene?
1-hex-3-ynyl-2,3,4-trimethoxybenzene has a molecular weight of 248.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-ynyl-2,3,4-trimethoxybenzene is sourced from PubChem (CID 83934105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).