4-hexyl-1-benzofuran

C14H18O — CID 90920870

IUPAC4-hexyl-1-benzofuran
SMILESCCCCCCc1cccc2occc12
InChIInChI=1S/C14H18O/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h6,8-11H,2-5,7H2,1H3
InChIKeyAYANJRVJXPOCSP-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.56
Rot. Bonds5

About 4-hexyl-1-benzofuran

4-hexyl-1-benzofuran (PubChem CID 90920870) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-hexyl-1-benzofuran.

Molecular Properties

Compound Name4-hexyl-1-benzofuran
PubChem CID90920870
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-hexyl-1-benzofuran
SMILESCCCCCCc1cccc2occc12
InChIInChI=1S/C14H18O/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h6,8-11H,2-5,7H2,1H3
InChIKeyAYANJRVJXPOCSP-UHFFFAOYSA-N
XLogP4.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.56
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

4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
8-octyl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411222
1-tetradecylnaphthalene
CID 14402128
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
7-pentyl-1-benzofuran
CID 90916397
4-hexyl-1,3-benzoxazole
CID 91584935
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-benzofuran?
The IUPAC name of 4-hexyl-1-benzofuran (CID 90920870) is 4-hexyl-1-benzofuran.
What is the SMILES notation for 4-hexyl-1-benzofuran?
The canonical SMILES for 4-hexyl-1-benzofuran is CCCCCCc1cccc2occc12.
What is the InChIKey of 4-hexyl-1-benzofuran?
The InChIKey is AYANJRVJXPOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h6,8-11H,2-5,7H2,1H3.
What are the key properties of 4-hexyl-1-benzofuran?
4-hexyl-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-benzofuran is sourced from PubChem (CID 90920870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).