3-hexyl-5-(4-methylphenyl)-2-phenylfuran

C23H26O — CID 102103698

IUPAC3-hexyl-5-(4-methylphenyl)-2-phenylfuran
SMILESCCCCCCc1cc(-c2ccc(C)cc2)oc1-c1ccccc1
InChIInChI=1S/C23H26O/c1-3-4-5-7-12-21-17-22(19-15-13-18(2)14-16-19)24-23(21)20-10-8-6-9-11-20/h6,8-11,13-17H,3-5,7,12H2,1-2H3
InChIKeyXWOUPABEVCGTED-UHFFFAOYSA-N
MW318.46 g/mol
LogP7.04
Rot. Bonds7

About 3-hexyl-5-(4-methylphenyl)-2-phenylfuran

3-hexyl-5-(4-methylphenyl)-2-phenylfuran (PubChem CID 102103698) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-hexyl-5-(4-methylphenyl)-2-phenylfuran.

Molecular Properties

Compound Name3-hexyl-5-(4-methylphenyl)-2-phenylfuran
PubChem CID102103698
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name3-hexyl-5-(4-methylphenyl)-2-phenylfuran
SMILESCCCCCCc1cc(-c2ccc(C)cc2)oc1-c1ccccc1
InChIInChI=1S/C23H26O/c1-3-4-5-7-12-21-17-22(19-15-13-18(2)14-16-19)24-23(21)20-10-8-6-9-11-20/h6,8-11,13-17H,3-5,7,12H2,1-2H3
InChIKeyXWOUPABEVCGTED-UHFFFAOYSA-N
XLogP7.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-pentyl-5-phenylfuran
CID 10823258
3-methyl-5-pentyl-2-phenylfuran
CID 10846976
2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran;2,5-bis[5-(furan-2-yl)furan-2-yl]-3-octylfuran
CID 158695408
2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-octylfuran
CID 90250758
1-(4-methylphenyl)-3-octyl-2,5-diphenylpyrrole
CID 23497978
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480
1-hexyl-4-methylbenzene;toluene
CID 173071388
5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
CID 102128857
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
CID 56931655

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-(4-methylphenyl)-2-phenylfuran?
The IUPAC name of 3-hexyl-5-(4-methylphenyl)-2-phenylfuran (CID 102103698) is 3-hexyl-5-(4-methylphenyl)-2-phenylfuran.
What is the SMILES notation for 3-hexyl-5-(4-methylphenyl)-2-phenylfuran?
The canonical SMILES for 3-hexyl-5-(4-methylphenyl)-2-phenylfuran is CCCCCCc1cc(-c2ccc(C)cc2)oc1-c1ccccc1.
What is the InChIKey of 3-hexyl-5-(4-methylphenyl)-2-phenylfuran?
The InChIKey is XWOUPABEVCGTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-3-4-5-7-12-21-17-22(19-15-13-18(2)14-16-19)24-23(21)20-10-8-6-9-11-20/h6,8-11,13-17H,3-5,7,12H2,1-2H3.
What are the key properties of 3-hexyl-5-(4-methylphenyl)-2-phenylfuran?
3-hexyl-5-(4-methylphenyl)-2-phenylfuran has a molecular weight of 318.46 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-(4-methylphenyl)-2-phenylfuran is sourced from PubChem (CID 102103698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).