1-[5-(2-propylphenyl)furan-2-yl]ethanone

C15H16O2 — CID 62498239

IUPAC1-[5-(2-propylphenyl)furan-2-yl]ethanone
SMILESCCCc1ccccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C15H16O2/c1-3-6-12-7-4-5-8-13(12)15-10-9-14(17-15)11(2)16/h4-5,7-10H,3,6H2,1-2H3
InChIKeyNXVAAGZRFMGOEE-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.10
Rot. Bonds4

About 1-[5-(2-propylphenyl)furan-2-yl]ethanone

1-[5-(2-propylphenyl)furan-2-yl]ethanone (PubChem CID 62498239) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[5-(2-propylphenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-propylphenyl)furan-2-yl]ethanone
PubChem CID62498239
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-[5-(2-propylphenyl)furan-2-yl]ethanone
SMILESCCCc1ccccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C15H16O2/c1-3-6-12-7-4-5-8-13(12)15-10-9-14(17-15)11(2)16/h4-5,7-10H,3,6H2,1-2H3
InChIKeyNXVAAGZRFMGOEE-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-propan-2-ylphenyl)furan-2-yl]ethanone
CID 62500184
1-[5-(2-propylphenyl)furan-2-yl]propan-2-ol
CID 55180932
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
1-[5-(3-fluoro-2-methylphenyl)furan-2-yl]ethanone
CID 62498241
N-ethyl-1-[5-(2-propylphenyl)furan-2-yl]propan-1-amine
CID 63398978
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-one
CID 62631863
(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627688
2-(2-propylphenyl)acetic acid
CID 46897017
1-(4-propylphenyl)propan-2-one
CID 82490574

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propylphenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(2-propylphenyl)furan-2-yl]ethanone (CID 62498239) is 1-[5-(2-propylphenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-propylphenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-propylphenyl)furan-2-yl]ethanone is CCCc1ccccc1-c1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-(2-propylphenyl)furan-2-yl]ethanone?
The InChIKey is NXVAAGZRFMGOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-6-12-7-4-5-8-13(12)15-10-9-14(17-15)11(2)16/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 1-[5-(2-propylphenyl)furan-2-yl]ethanone?
1-[5-(2-propylphenyl)furan-2-yl]ethanone has a molecular weight of 228.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propylphenyl)furan-2-yl]ethanone is sourced from PubChem (CID 62498239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).