3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan

C15H18O — CID 642120

IUPAC3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan
SMILESCc1ccc(C(C)C)c(Cc2ccoc2)c1
InChIInChI=1S/C15H18O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h4-8,10-11H,9H2,1-3H3
InChIKeyLCIRMHKXBHDOLU-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.30
Rot. Bonds3

About 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan

3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan (PubChem CID 642120) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan.

Molecular Properties

Compound Name3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan
PubChem CID642120
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan
SMILESCc1ccc(C(C)C)c(Cc2ccoc2)c1
InChIInChI=1S/C15H18O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h4-8,10-11H,9H2,1-3H3
InChIKeyLCIRMHKXBHDOLU-UHFFFAOYSA-N
XLogP4.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan?
The IUPAC name of 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan (CID 642120) is 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan.
What is the SMILES notation for 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan?
The canonical SMILES for 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan is Cc1ccc(C(C)C)c(Cc2ccoc2)c1.
What is the InChIKey of 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan?
The InChIKey is LCIRMHKXBHDOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan?
3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan has a molecular weight of 214.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-propan-2-ylphenyl)methyl]furan is sourced from PubChem (CID 642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).