ethane;1-methoxy-4-(4-methoxybutyl)benzene

C16H30O2 — CID 143283222

IUPACethane;1-methoxy-4-(4-methoxybutyl)benzene
SMILESCC.CC.COCCCCc1ccc(OC)cc1
InChIInChI=1S/C12H18O2.2C2H6/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11;2*1-2/h6-9H,3-5,10H2,1-2H3;2*1-2H3
InChIKeyWEVGNKLVCXXWFH-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.72
Rot. Bonds6

About ethane;1-methoxy-4-(4-methoxybutyl)benzene

ethane;1-methoxy-4-(4-methoxybutyl)benzene (PubChem CID 143283222) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethane;1-methoxy-4-(4-methoxybutyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-(4-methoxybutyl)benzene
PubChem CID143283222
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethane;1-methoxy-4-(4-methoxybutyl)benzene
SMILESCC.CC.COCCCCc1ccc(OC)cc1
InChIInChI=1S/C12H18O2.2C2H6/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11;2*1-2/h6-9H,3-5,10H2,1-2H3;2*1-2H3
InChIKeyWEVGNKLVCXXWFH-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.72
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-(4-methoxybutyl)benzene
CID 18345059
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(4-methoxybutyl)benzene?
The IUPAC name of ethane;1-methoxy-4-(4-methoxybutyl)benzene (CID 143283222) is ethane;1-methoxy-4-(4-methoxybutyl)benzene.
What is the SMILES notation for ethane;1-methoxy-4-(4-methoxybutyl)benzene?
The canonical SMILES for ethane;1-methoxy-4-(4-methoxybutyl)benzene is CC.CC.COCCCCc1ccc(OC)cc1.
What is the InChIKey of ethane;1-methoxy-4-(4-methoxybutyl)benzene?
The InChIKey is WEVGNKLVCXXWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.2C2H6/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11;2*1-2/h6-9H,3-5,10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-4-(4-methoxybutyl)benzene?
ethane;1-methoxy-4-(4-methoxybutyl)benzene has a molecular weight of 254.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(4-methoxybutyl)benzene is sourced from PubChem (CID 143283222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).