2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran

C18H23ClO — CID 79084543

IUPAC2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H23ClO/c1-7-15-8-9-16(20-15)18(19)17-13(5)11(3)10(2)12(4)14(17)6/h8-9,18H,7H2,1-6H3
InChIKeyRBXFKNWURUFORR-UHFFFAOYSA-N
MW290.83 g/mol
LogP5.71
Rot. Bonds3

About 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran

2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran (PubChem CID 79084543) has the molecular formula C18H23ClO and a molecular weight of 290.83 g/mol. Its IUPAC name is 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran
PubChem CID79084543
Molecular FormulaC18H23ClO
Molecular Weight290.83 g/mol
Exact Mass290.14
IUPAC Name2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H23ClO/c1-7-15-8-9-16(20-15)18(19)17-13(5)11(3)10(2)12(4)14(17)6/h8-9,18H,7H2,1-6H3
InChIKeyRBXFKNWURUFORR-UHFFFAOYSA-N
XLogP5.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.83
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran?
The IUPAC name of 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran (CID 79084543) is 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran.
What is the SMILES notation for 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran?
The canonical SMILES for 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran is CCc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)o1.
What is the InChIKey of 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran?
The InChIKey is RBXFKNWURUFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO/c1-7-15-8-9-16(20-15)18(19)17-13(5)11(3)10(2)12(4)14(17)6/h8-9,18H,7H2,1-6H3.
What are the key properties of 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran?
2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran has a molecular weight of 290.83 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran is sourced from PubChem (CID 79084543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).