1-butoxy-3,4-diethoxy-2-propoxybenzene

C17H28O4 — CID 70308911

IUPAC1-butoxy-3,4-diethoxy-2-propoxybenzene
SMILESCCCCOc1ccc(OCC)c(OCC)c1OCCC
InChIInChI=1S/C17H28O4/c1-5-9-13-20-15-11-10-14(18-7-3)16(19-8-4)17(15)21-12-6-2/h10-11H,5-9,12-13H2,1-4H3
InChIKeyIUNOXLCCFYWWOU-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.45
Rot. Bonds11

About 1-butoxy-3,4-diethoxy-2-propoxybenzene

1-butoxy-3,4-diethoxy-2-propoxybenzene (PubChem CID 70308911) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-butoxy-3,4-diethoxy-2-propoxybenzene.

Molecular Properties

Compound Name1-butoxy-3,4-diethoxy-2-propoxybenzene
PubChem CID70308911
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1-butoxy-3,4-diethoxy-2-propoxybenzene
SMILESCCCCOc1ccc(OCC)c(OCC)c1OCCC
InChIInChI=1S/C17H28O4/c1-5-9-13-20-15-11-10-14(18-7-3)16(19-8-4)17(15)21-12-6-2/h10-11H,5-9,12-13H2,1-4H3
InChIKeyIUNOXLCCFYWWOU-UHFFFAOYSA-N
XLogP4.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethoxy-3-pentoxybenzene
CID 174527240
bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
CID 137329899
1,4-dibutoxynaphthalene
CID 22016411
1-butoxy-2,3-difluoro-4-octoxybenzene;bis(2,3-difluoro-1-heptoxy-4-propoxybenzene);2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-octoxybenzene
CID 158241991
3-ethoxy-2-propoxyphenol
CID 174814735
3-(2,3,4-tripropoxyphenyl)propan-1-amine
CID 95421402
2,3,4-tridodecoxyphenol
CID 67180426
1,2,3,4,5-pentapropoxybenzene
CID 91365553
1,4,5,8-tetrahexoxyanthracene
CID 101142141
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
1,4-didodecoxynaphthalene
CID 21304164

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3,4-diethoxy-2-propoxybenzene?
The IUPAC name of 1-butoxy-3,4-diethoxy-2-propoxybenzene (CID 70308911) is 1-butoxy-3,4-diethoxy-2-propoxybenzene.
What is the SMILES notation for 1-butoxy-3,4-diethoxy-2-propoxybenzene?
The canonical SMILES for 1-butoxy-3,4-diethoxy-2-propoxybenzene is CCCCOc1ccc(OCC)c(OCC)c1OCCC.
What is the InChIKey of 1-butoxy-3,4-diethoxy-2-propoxybenzene?
The InChIKey is IUNOXLCCFYWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-5-9-13-20-15-11-10-14(18-7-3)16(19-8-4)17(15)21-12-6-2/h10-11H,5-9,12-13H2,1-4H3.
What are the key properties of 1-butoxy-3,4-diethoxy-2-propoxybenzene?
1-butoxy-3,4-diethoxy-2-propoxybenzene has a molecular weight of 296.41 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3,4-diethoxy-2-propoxybenzene is sourced from PubChem (CID 70308911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).