1,2-dimethoxy-4-(4-methoxybutyl)benzene

C13H20O3 — CID 70361362

IUPAC1,2-dimethoxy-4-(4-methoxybutyl)benzene
SMILESCOCCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O3/c1-14-9-5-4-6-11-7-8-12(15-2)13(10-11)16-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLLRHLUPITBUWHR-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.67
Rot. Bonds7

About 1,2-dimethoxy-4-(4-methoxybutyl)benzene

1,2-dimethoxy-4-(4-methoxybutyl)benzene (PubChem CID 70361362) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(4-methoxybutyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(4-methoxybutyl)benzene
PubChem CID70361362
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1,2-dimethoxy-4-(4-methoxybutyl)benzene
SMILESCOCCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O3/c1-14-9-5-4-6-11-7-8-12(15-2)13(10-11)16-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLLRHLUPITBUWHR-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.67
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

4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
[4-[4-[4-(4-acetyloxy-3-methoxyphenyl)butoxy]butyl]-2-methoxyphenyl] acetate
CID 156696041
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(4-methoxybutyl)benzene?
The IUPAC name of 1,2-dimethoxy-4-(4-methoxybutyl)benzene (CID 70361362) is 1,2-dimethoxy-4-(4-methoxybutyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(4-methoxybutyl)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(4-methoxybutyl)benzene is COCCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-(4-methoxybutyl)benzene?
The InChIKey is LLRHLUPITBUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-14-9-5-4-6-11-7-8-12(15-2)13(10-11)16-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-(4-methoxybutyl)benzene?
1,2-dimethoxy-4-(4-methoxybutyl)benzene has a molecular weight of 224.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(4-methoxybutyl)benzene is sourced from PubChem (CID 70361362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).