7-methoxy-5-pentyl-1-benzofuran

C14H18O2 — CID 70233680

IUPAC7-methoxy-5-pentyl-1-benzofuran
SMILESCCCCCc1cc(OC)c2occc2c1
InChIInChI=1S/C14H18O2/c1-3-4-5-6-11-9-12-7-8-16-14(12)13(10-11)15-2/h7-10H,3-6H2,1-2H3
InChIKeyFBPZKNULOHUYBS-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.17
Rot. Bonds5

About 7-methoxy-5-pentyl-1-benzofuran

7-methoxy-5-pentyl-1-benzofuran (PubChem CID 70233680) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-methoxy-5-pentyl-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-5-pentyl-1-benzofuran
PubChem CID70233680
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name7-methoxy-5-pentyl-1-benzofuran
SMILESCCCCCc1cc(OC)c2occc2c1
InChIInChI=1S/C14H18O2/c1-3-4-5-6-11-9-12-7-8-16-14(12)13(10-11)15-2/h7-10H,3-6H2,1-2H3
InChIKeyFBPZKNULOHUYBS-UHFFFAOYSA-N
XLogP4.17
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
2,6-dimethoxy-4-pentylphenol
CID 22625510
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide
CID 6613210
CID 66930918
CID 66930918
2-(3,4-dimethoxyphenyl)-1,3-dimethoxy-5-pentylbenzene
CID 178159435
2,7-dipentylpyrene
CID 174968466
4-hexyl-2-methoxyaniline
CID 70551686
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-pentyl-1-benzofuran?
The IUPAC name of 7-methoxy-5-pentyl-1-benzofuran (CID 70233680) is 7-methoxy-5-pentyl-1-benzofuran.
What is the SMILES notation for 7-methoxy-5-pentyl-1-benzofuran?
The canonical SMILES for 7-methoxy-5-pentyl-1-benzofuran is CCCCCc1cc(OC)c2occc2c1.
What is the InChIKey of 7-methoxy-5-pentyl-1-benzofuran?
The InChIKey is FBPZKNULOHUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-4-5-6-11-9-12-7-8-16-14(12)13(10-11)15-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 7-methoxy-5-pentyl-1-benzofuran?
7-methoxy-5-pentyl-1-benzofuran has a molecular weight of 218.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-pentyl-1-benzofuran is sourced from PubChem (CID 70233680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).