2-pentyl-1-benzofuran-3-carbaldehyde

C14H16O2 — CID 87462287

IUPAC2-pentyl-1-benzofuran-3-carbaldehyde
SMILESCCCCCc1oc2ccccc2c1C=O
InChIInChI=1S/C14H16O2/c1-2-3-4-8-14-12(10-15)11-7-5-6-9-13(11)16-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyBSRQOYPLVODUHG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.98
Rot. Bonds5

About 2-pentyl-1-benzofuran-3-carbaldehyde

2-pentyl-1-benzofuran-3-carbaldehyde (PubChem CID 87462287) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-pentyl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-pentyl-1-benzofuran-3-carbaldehyde
PubChem CID87462287
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-pentyl-1-benzofuran-3-carbaldehyde
SMILESCCCCCc1oc2ccccc2c1C=O
InChIInChI=1S/C14H16O2/c1-2-3-4-8-14-12(10-15)11-7-5-6-9-13(11)16-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyBSRQOYPLVODUHG-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbuta-1,2-dienyl)-2-pentyl-1-benzofuran
CID 11054219
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
2-butyl-3-methylchromen-4-one
CID 174299593
2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
CID 23445662
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-hexyl-3-phenylselanylchromen-4-one
CID 154714247
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-pentyl-1-benzofuran-3-carbaldehyde (CID 87462287) is 2-pentyl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-pentyl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-pentyl-1-benzofuran-3-carbaldehyde is CCCCCc1oc2ccccc2c1C=O.
What is the InChIKey of 2-pentyl-1-benzofuran-3-carbaldehyde?
The InChIKey is BSRQOYPLVODUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-8-14-12(10-15)11-7-5-6-9-13(11)16-14/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 2-pentyl-1-benzofuran-3-carbaldehyde?
2-pentyl-1-benzofuran-3-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 87462287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).