2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran

C19H19ClO — CID 63542686

IUPAC2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran
SMILESCc1ccc(C)c(CC(Cl)c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C19H19ClO/c1-12-4-6-14(3)15(8-12)10-17(20)19-11-16-9-13(2)5-7-18(16)21-19/h4-9,11,17H,10H2,1-3H3
InChIKeyKIVXYMHEQWSHPG-UHFFFAOYSA-N
MW298.81 g/mol
LogP5.88
Rot. Bonds3

About 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran

2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran (PubChem CID 63542686) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran
PubChem CID63542686
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran
SMILESCc1ccc(C)c(CC(Cl)c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C19H19ClO/c1-12-4-6-14(3)15(8-12)10-17(20)19-11-16-9-13(2)5-7-18(16)21-19/h4-9,11,17H,10H2,1-3H3
InChIKeyKIVXYMHEQWSHPG-UHFFFAOYSA-N
XLogP5.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.81
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
CID 63543684
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran?
The IUPAC name of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran (CID 63542686) is 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran.
What is the SMILES notation for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran?
The canonical SMILES for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran is Cc1ccc(C)c(CC(Cl)c2cc3cc(C)ccc3o2)c1.
What is the InChIKey of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran?
The InChIKey is KIVXYMHEQWSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/c1-12-4-6-14(3)15(8-12)10-17(20)19-11-16-9-13(2)5-7-18(16)21-19/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran?
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran has a molecular weight of 298.81 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran is sourced from PubChem (CID 63542686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).