1-ethyl-4-(4-methoxybutyl)benzene

C13H20O — CID 143010325

IUPAC1-ethyl-4-(4-methoxybutyl)benzene
SMILESCCc1ccc(CCCCOC)cc1
InChIInChI=1S/C13H20O/c1-3-12-7-9-13(10-8-12)6-4-5-11-14-2/h7-10H,3-6,11H2,1-2H3
InChIKeyBXADBXLEKFAZMZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.22
Rot. Bonds6

About 1-ethyl-4-(4-methoxybutyl)benzene

1-ethyl-4-(4-methoxybutyl)benzene (PubChem CID 143010325) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxybutyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxybutyl)benzene
PubChem CID143010325
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-ethyl-4-(4-methoxybutyl)benzene
SMILESCCc1ccc(CCCCOC)cc1
InChIInChI=1S/C13H20O/c1-3-12-7-9-13(10-8-12)6-4-5-11-14-2/h7-10H,3-6,11H2,1-2H3
InChIKeyBXADBXLEKFAZMZ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
7-methoxyheptylbenzene
CID 54276867
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-ethyl-4-octacosylbenzene
CID 175218304
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692
2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
CID 67858800

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxybutyl)benzene?
The IUPAC name of 1-ethyl-4-(4-methoxybutyl)benzene (CID 143010325) is 1-ethyl-4-(4-methoxybutyl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-methoxybutyl)benzene?
The canonical SMILES for 1-ethyl-4-(4-methoxybutyl)benzene is CCc1ccc(CCCCOC)cc1.
What is the InChIKey of 1-ethyl-4-(4-methoxybutyl)benzene?
The InChIKey is BXADBXLEKFAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-12-7-9-13(10-8-12)6-4-5-11-14-2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methoxybutyl)benzene?
1-ethyl-4-(4-methoxybutyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxybutyl)benzene is sourced from PubChem (CID 143010325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).