2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene

C14H22O3 — CID 10633685

IUPAC2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
SMILESCCCCOc1c(OC)cc(C)c(OC)c1C
InChIInChI=1S/C14H22O3/c1-6-7-8-17-14-11(3)13(16-5)10(2)9-12(14)15-4/h9H,6-8H2,1-5H3
InChIKeySIVBOHHHEACMGH-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.50
Rot. Bonds6

About 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene

2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene (PubChem CID 10633685) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
PubChem CID10633685
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
SMILESCCCCOc1c(OC)cc(C)c(OC)c1C
InChIInChI=1S/C14H22O3/c1-6-7-8-17-14-11(3)13(16-5)10(2)9-12(14)15-4/h9H,6-8H2,1-5H3
InChIKeySIVBOHHHEACMGH-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,2-dimethoxy-3-methylbenzene
CID 144857589
(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 126610805
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
(4-butoxy-2,3-dimethoxy-6,7-dimethylnaphthalen-1-yl) acetate
CID 149158265
CID 87769001
CID 87769001
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene?
The IUPAC name of 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene (CID 10633685) is 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene.
What is the SMILES notation for 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene?
The canonical SMILES for 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene is CCCCOc1c(OC)cc(C)c(OC)c1C.
What is the InChIKey of 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene?
The InChIKey is SIVBOHHHEACMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-6-7-8-17-14-11(3)13(16-5)10(2)9-12(14)15-4/h9H,6-8H2,1-5H3.
What are the key properties of 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene?
2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene is sourced from PubChem (CID 10633685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).