3-methyl-2-pentyl-5-phenylfuran

C16H20O — CID 10823258

IUPAC3-methyl-2-pentyl-5-phenylfuran
SMILESCCCCCc1oc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20O/c1-3-4-6-11-15-13(2)12-16(17-15)14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyHVRRULCZAHKAHK-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.99
Rot. Bonds5

About 3-methyl-2-pentyl-5-phenylfuran

3-methyl-2-pentyl-5-phenylfuran (PubChem CID 10823258) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-2-pentyl-5-phenylfuran.

Molecular Properties

Compound Name3-methyl-2-pentyl-5-phenylfuran
PubChem CID10823258
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-methyl-2-pentyl-5-phenylfuran
SMILESCCCCCc1oc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20O/c1-3-4-6-11-15-13(2)12-16(17-15)14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyHVRRULCZAHKAHK-UHFFFAOYSA-N
XLogP4.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.99
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

2-butyl-5-phenyl-N,N-di(propan-2-yl)furan-3-amine
CID 132554306
3-hexyl-5-(4-methylphenyl)-2-phenylfuran
CID 102103698
3-methyl-5-pentyl-2-phenylfuran
CID 10846976
trimethyl-(5-phenyl-2-propylfuran-3-yl)silane
CID 13213321
2-octylazulene
CID 101406191
3-heptyl-2-methyl-5-phenyl-1,2-oxazol-2-ium
CID 102218856
1,1'-biphenyl;hexadecane
CID 173308514
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
4-pentyl-8-phenylfuro[2,3-h]chromen-2-one
CID 57341440
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
1-pentadecyl-4-phenylbenzene
CID 57166115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-5-phenylfuran?
The IUPAC name of 3-methyl-2-pentyl-5-phenylfuran (CID 10823258) is 3-methyl-2-pentyl-5-phenylfuran.
What is the SMILES notation for 3-methyl-2-pentyl-5-phenylfuran?
The canonical SMILES for 3-methyl-2-pentyl-5-phenylfuran is CCCCCc1oc(-c2ccccc2)cc1C.
What is the InChIKey of 3-methyl-2-pentyl-5-phenylfuran?
The InChIKey is HVRRULCZAHKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-4-6-11-15-13(2)12-16(17-15)14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-5-phenylfuran?
3-methyl-2-pentyl-5-phenylfuran has a molecular weight of 228.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-5-phenylfuran is sourced from PubChem (CID 10823258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).