2-[(4-methylphenyl)methyl]furan

C12H12O — CID 10654775

IUPAC2-[(4-methylphenyl)methyl]furan
SMILESCc1ccc(Cc2ccco2)cc1
InChIInChI=1S/C12H12O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
InChIKeyRZMHDTKEMYQBNO-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.18
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]furan

2-[(4-methylphenyl)methyl]furan (PubChem CID 10654775) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]furan.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]furan
PubChem CID10654775
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-[(4-methylphenyl)methyl]furan
SMILESCc1ccc(Cc2ccco2)cc1
InChIInChI=1S/C12H12O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
InChIKeyRZMHDTKEMYQBNO-UHFFFAOYSA-N
XLogP3.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]furan?
The IUPAC name of 2-[(4-methylphenyl)methyl]furan (CID 10654775) is 2-[(4-methylphenyl)methyl]furan.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]furan?
The canonical SMILES for 2-[(4-methylphenyl)methyl]furan is Cc1ccc(Cc2ccco2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]furan?
The InChIKey is RZMHDTKEMYQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]furan?
2-[(4-methylphenyl)methyl]furan has a molecular weight of 172.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]furan is sourced from PubChem (CID 10654775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).