2-(4-butyl-2-methylphenyl)furan

C15H18O — CID 168524679

IUPAC2-(4-butyl-2-methylphenyl)furan
SMILESCCCCc1ccc(-c2ccco2)c(C)c1
InChIInChI=1S/C15H18O/c1-3-4-6-13-8-9-14(12(2)11-13)15-7-5-10-16-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyICXQAWZEWLEPDU-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-butyl-2-methylphenyl)furan

2-(4-butyl-2-methylphenyl)furan (PubChem CID 168524679) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(4-butyl-2-methylphenyl)furan.

Molecular Properties

Compound Name2-(4-butyl-2-methylphenyl)furan
PubChem CID168524679
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(4-butyl-2-methylphenyl)furan
SMILESCCCCc1ccc(-c2ccco2)c(C)c1
InChIInChI=1S/C15H18O/c1-3-4-6-13-8-9-14(12(2)11-13)15-7-5-10-16-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyICXQAWZEWLEPDU-UHFFFAOYSA-N
XLogP4.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-methylphenyl)furan?
The IUPAC name of 2-(4-butyl-2-methylphenyl)furan (CID 168524679) is 2-(4-butyl-2-methylphenyl)furan.
What is the SMILES notation for 2-(4-butyl-2-methylphenyl)furan?
The canonical SMILES for 2-(4-butyl-2-methylphenyl)furan is CCCCc1ccc(-c2ccco2)c(C)c1.
What is the InChIKey of 2-(4-butyl-2-methylphenyl)furan?
The InChIKey is ICXQAWZEWLEPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-4-6-13-8-9-14(12(2)11-13)15-7-5-10-16-15/h5,7-11H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-butyl-2-methylphenyl)furan?
2-(4-butyl-2-methylphenyl)furan has a molecular weight of 214.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-methylphenyl)furan is sourced from PubChem (CID 168524679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).