2-(1-butoxyethenyl)-1,3-dimethoxybenzene

C14H20O3 — CID 102226574

IUPAC2-(1-butoxyethenyl)-1,3-dimethoxybenzene
SMILESC=C(OCCCC)c1c(OC)cccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-10-17-11(2)14-12(15-3)8-7-9-13(14)16-4/h7-9H,2,5-6,10H2,1,3-4H3
InChIKeyGGRNJAVJRBEZAO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.49
Rot. Bonds7

About 2-(1-butoxyethenyl)-1,3-dimethoxybenzene

2-(1-butoxyethenyl)-1,3-dimethoxybenzene (PubChem CID 102226574) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-butoxyethenyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-butoxyethenyl)-1,3-dimethoxybenzene
PubChem CID102226574
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(1-butoxyethenyl)-1,3-dimethoxybenzene
SMILESC=C(OCCCC)c1c(OC)cccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-10-17-11(2)14-12(15-3)8-7-9-13(14)16-4/h7-9H,2,5-6,10H2,1,3-4H3
InChIKeyGGRNJAVJRBEZAO-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
1-[3-(1-butoxyethenyl)phenyl]ethanone
CID 86025613
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
1,3-dibutoxy-2-methylbenzene
CID 14475066
5-O-(2,6-dimethoxyphenyl) 1-O-undecyl pentanedioate
CID 91721536
1-[1-[2-(1-butoxyethenyl)phenyl]ethenyl]thiolan-1-ium
CID 140711606
2-butyl-1,3-dimethoxybenzene
CID 524840
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
2,6-dimethoxybenzohydrazide
CID 2806104
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
1-O-decyl 7-O-(2-methoxyphenyl) heptanedioate
CID 91712325

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyethenyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(1-butoxyethenyl)-1,3-dimethoxybenzene (CID 102226574) is 2-(1-butoxyethenyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(1-butoxyethenyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(1-butoxyethenyl)-1,3-dimethoxybenzene is C=C(OCCCC)c1c(OC)cccc1OC.
What is the InChIKey of 2-(1-butoxyethenyl)-1,3-dimethoxybenzene?
The InChIKey is GGRNJAVJRBEZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-6-10-17-11(2)14-12(15-3)8-7-9-13(14)16-4/h7-9H,2,5-6,10H2,1,3-4H3.
What are the key properties of 2-(1-butoxyethenyl)-1,3-dimethoxybenzene?
2-(1-butoxyethenyl)-1,3-dimethoxybenzene has a molecular weight of 236.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethenyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 102226574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).