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

C12H18O2 — CID 18345059

IUPAC1-methoxy-4-(4-methoxybutyl)benzene
SMILESCOCCCCc1ccc(OC)cc1
InChIInChI=1S/C12H18O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyLNHSICMKHXYATE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds6

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

1-methoxy-4-(4-methoxybutyl)benzene (PubChem CID 18345059) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxybutyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxybutyl)benzene
PubChem CID18345059
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-methoxy-4-(4-methoxybutyl)benzene
SMILESCOCCCCc1ccc(OC)cc1
InChIInChI=1S/C12H18O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyLNHSICMKHXYATE-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(4-methoxybutyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
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-(4-methoxybutoxy)benzene
CID 143283261
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
10-(4-methoxyphenyl)decan-1-amine
CID 70566558

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxybutyl)benzene?
The IUPAC name of 1-methoxy-4-(4-methoxybutyl)benzene (CID 18345059) is 1-methoxy-4-(4-methoxybutyl)benzene.
What is the SMILES notation for 1-methoxy-4-(4-methoxybutyl)benzene?
The canonical SMILES for 1-methoxy-4-(4-methoxybutyl)benzene is COCCCCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxybutyl)benzene?
The InChIKey is LNHSICMKHXYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxybutyl)benzene?
1-methoxy-4-(4-methoxybutyl)benzene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxybutyl)benzene is sourced from PubChem (CID 18345059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).