2-ethyl-3-pentyl-1-benzofuran

C15H20O — CID 70503240

IUPAC2-ethyl-3-pentyl-1-benzofuran
SMILESCCCCCc1c(CC)oc2ccccc12
InChIInChI=1S/C15H20O/c1-3-5-6-9-12-13-10-7-8-11-15(13)16-14(12)4-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAJLIIDWPHQPKSQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.73
Rot. Bonds5

About 2-ethyl-3-pentyl-1-benzofuran

2-ethyl-3-pentyl-1-benzofuran (PubChem CID 70503240) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-3-pentyl-1-benzofuran.

Molecular Properties

Compound Name2-ethyl-3-pentyl-1-benzofuran
PubChem CID70503240
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-ethyl-3-pentyl-1-benzofuran
SMILESCCCCCc1c(CC)oc2ccccc12
InChIInChI=1S/C15H20O/c1-3-5-6-9-12-13-10-7-8-11-15(13)16-14(12)4-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAJLIIDWPHQPKSQ-UHFFFAOYSA-N
XLogP4.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.73
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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
2-butyl-3-methylchromen-4-one
CID 174299593
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentyl-1-benzofuran?
The IUPAC name of 2-ethyl-3-pentyl-1-benzofuran (CID 70503240) is 2-ethyl-3-pentyl-1-benzofuran.
What is the SMILES notation for 2-ethyl-3-pentyl-1-benzofuran?
The canonical SMILES for 2-ethyl-3-pentyl-1-benzofuran is CCCCCc1c(CC)oc2ccccc12.
What is the InChIKey of 2-ethyl-3-pentyl-1-benzofuran?
The InChIKey is AJLIIDWPHQPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-6-9-12-13-10-7-8-11-15(13)16-14(12)4-2/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-3-pentyl-1-benzofuran?
2-ethyl-3-pentyl-1-benzofuran has a molecular weight of 216.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentyl-1-benzofuran is sourced from PubChem (CID 70503240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).