1-butoxy-4-methoxy-2,5-dimethylbenzene

C13H20O2 — CID 58371109

IUPAC1-butoxy-4-methoxy-2,5-dimethylbenzene
SMILESCCCCOc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20O2/c1-5-6-7-15-13-9-10(2)12(14-4)8-11(13)3/h8-9H,5-7H2,1-4H3
InChIKeyRHUIMYZUTFJQGC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.49
Rot. Bonds5

About 1-butoxy-4-methoxy-2,5-dimethylbenzene

1-butoxy-4-methoxy-2,5-dimethylbenzene (PubChem CID 58371109) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-butoxy-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-butoxy-4-methoxy-2,5-dimethylbenzene
PubChem CID58371109
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-butoxy-4-methoxy-2,5-dimethylbenzene
SMILESCCCCOc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20O2/c1-5-6-7-15-13-9-10(2)12(14-4)8-11(13)3/h8-9H,5-7H2,1-4H3
InChIKeyRHUIMYZUTFJQGC-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
CID 10633685
1-decoxy-2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-4,5-dimethylbenzene
CID 58038590
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
4-butoxy-2-chloro-5-methylaniline
CID 115555294
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-(3,7-dimethyloctoxy)-4-methoxy-2,5-dimethylbenzene;dihydrochloride
CID 68520492
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-butoxy-4-methoxy-2,5-dimethylbenzene (CID 58371109) is 1-butoxy-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-butoxy-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-butoxy-4-methoxy-2,5-dimethylbenzene is CCCCOc1cc(C)c(OC)cc1C.
What is the InChIKey of 1-butoxy-4-methoxy-2,5-dimethylbenzene?
The InChIKey is RHUIMYZUTFJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-6-7-15-13-9-10(2)12(14-4)8-11(13)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-butoxy-4-methoxy-2,5-dimethylbenzene?
1-butoxy-4-methoxy-2,5-dimethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 58371109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).