3-methyl-4-(4-methylphenyl)furan

C12H12O — CID 20658517

IUPAC3-methyl-4-(4-methylphenyl)furan
SMILESCc1ccc(-c2cocc2C)cc1
InChIInChI=1S/C12H12O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-8H,1-2H3
InChIKeyWXTDBDMYFRQSHF-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.56
Rot. Bonds1

About 3-methyl-4-(4-methylphenyl)furan

3-methyl-4-(4-methylphenyl)furan (PubChem CID 20658517) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)furan.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)furan
PubChem CID20658517
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name3-methyl-4-(4-methylphenyl)furan
SMILESCc1ccc(-c2cocc2C)cc1
InChIInChI=1S/C12H12O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-8H,1-2H3
InChIKeyWXTDBDMYFRQSHF-UHFFFAOYSA-N
XLogP3.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
CID 14977585
1,6-dimethylazulene
CID 10855725
1,3-dimethyl-4-(4-methylphenyl)pyrrole
CID 20658486
cobalt;bis(1,4-xylene)
CID 67859603
4,9,14,19-tetraoxapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene
CID 139042832
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
3-(4-methylphenyl)-1-benzofuran
CID 11160085
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)furan?
The IUPAC name of 3-methyl-4-(4-methylphenyl)furan (CID 20658517) is 3-methyl-4-(4-methylphenyl)furan.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)furan?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)furan is Cc1ccc(-c2cocc2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)furan?
The InChIKey is WXTDBDMYFRQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-8H,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)furan?
3-methyl-4-(4-methylphenyl)furan has a molecular weight of 172.23 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)furan is sourced from PubChem (CID 20658517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).