1-(4-ethoxybutyl)-4-methoxybenzene

C13H20O2 — CID 54183977

IUPAC1-(4-ethoxybutyl)-4-methoxybenzene
SMILESCCOCCCCc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-15-11-5-4-6-12-7-9-13(14-2)10-8-12/h7-10H,3-6,11H2,1-2H3
InChIKeyVCVVSZVIVVGISP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds7

About 1-(4-ethoxybutyl)-4-methoxybenzene

1-(4-ethoxybutyl)-4-methoxybenzene (PubChem CID 54183977) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-4-methoxybenzene
PubChem CID54183977
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-ethoxybutyl)-4-methoxybenzene
SMILESCCOCCCCc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-15-11-5-4-6-12-7-9-13(14-2)10-8-12/h7-10H,3-6,11H2,1-2H3
InChIKeyVCVVSZVIVVGISP-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
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-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
6-ethoxyhexylbenzene
CID 54300935
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-tert-butyl-4-[11-(2-ethoxyethoxy)undecyl]benzene
CID 162744789

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-4-methoxybenzene?
The IUPAC name of 1-(4-ethoxybutyl)-4-methoxybenzene (CID 54183977) is 1-(4-ethoxybutyl)-4-methoxybenzene.
What is the SMILES notation for 1-(4-ethoxybutyl)-4-methoxybenzene?
The canonical SMILES for 1-(4-ethoxybutyl)-4-methoxybenzene is CCOCCCCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-ethoxybutyl)-4-methoxybenzene?
The InChIKey is VCVVSZVIVVGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-15-11-5-4-6-12-7-9-13(14-2)10-8-12/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-ethoxybutyl)-4-methoxybenzene?
1-(4-ethoxybutyl)-4-methoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-4-methoxybenzene is sourced from PubChem (CID 54183977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).