2-butyl-4-methoxy-1-(methoxymethoxy)benzene

C13H20O3 — CID 139851851

IUPAC2-butyl-4-methoxy-1-(methoxymethoxy)benzene
SMILESCCCCc1cc(OC)ccc1OCOC
InChIInChI=1S/C13H20O3/c1-4-5-6-11-9-12(15-3)7-8-13(11)16-10-14-2/h7-9H,4-6,10H2,1-3H3
InChIKeyOQKUNGFCSLAWAA-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.02
Rot. Bonds7

About 2-butyl-4-methoxy-1-(methoxymethoxy)benzene

2-butyl-4-methoxy-1-(methoxymethoxy)benzene (PubChem CID 139851851) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-butyl-4-methoxy-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-butyl-4-methoxy-1-(methoxymethoxy)benzene
PubChem CID139851851
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-butyl-4-methoxy-1-(methoxymethoxy)benzene
SMILESCCCCc1cc(OC)ccc1OCOC
InChIInChI=1S/C13H20O3/c1-4-5-6-11-9-12(15-3)7-8-13(11)16-10-14-2/h7-9H,4-6,10H2,1-3H3
InChIKeyOQKUNGFCSLAWAA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-dibutyl-4-methoxybenzene
CID 153315966
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
4-bromo-1-(methoxymethoxy)-2-propylbenzene
CID 68947055
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
4-butyl-2-fluoro-1-(methoxymethoxy)benzene
CID 58718899

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methoxy-1-(methoxymethoxy)benzene?
The IUPAC name of 2-butyl-4-methoxy-1-(methoxymethoxy)benzene (CID 139851851) is 2-butyl-4-methoxy-1-(methoxymethoxy)benzene.
What is the SMILES notation for 2-butyl-4-methoxy-1-(methoxymethoxy)benzene?
The canonical SMILES for 2-butyl-4-methoxy-1-(methoxymethoxy)benzene is CCCCc1cc(OC)ccc1OCOC.
What is the InChIKey of 2-butyl-4-methoxy-1-(methoxymethoxy)benzene?
The InChIKey is OQKUNGFCSLAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-5-6-11-9-12(15-3)7-8-13(11)16-10-14-2/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 2-butyl-4-methoxy-1-(methoxymethoxy)benzene?
2-butyl-4-methoxy-1-(methoxymethoxy)benzene has a molecular weight of 224.30 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methoxy-1-(methoxymethoxy)benzene is sourced from PubChem (CID 139851851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).