2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran

C15H17ClO — CID 79084572

IUPAC2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)Cc2ccccc2C)o1
InChIInChI=1S/C15H17ClO/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3
InChIKeyGZRQVAYSZQYULN-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.67
Rot. Bonds4

About 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran

2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran (PubChem CID 79084572) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran
PubChem CID79084572
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)Cc2ccccc2C)o1
InChIInChI=1S/C15H17ClO/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3
InChIKeyGZRQVAYSZQYULN-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.67
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-(2-nitrophenyl)ethyl]-5-ethylfuran
CID 79083955
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran
CID 79084543
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran?
The IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran (CID 79084572) is 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran.
What is the SMILES notation for 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran?
The canonical SMILES for 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran is CCc1ccc(C(Cl)Cc2ccccc2C)o1.
What is the InChIKey of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran?
The InChIKey is GZRQVAYSZQYULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3.
What are the key properties of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran?
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran has a molecular weight of 248.75 g/mol, XLogP of 4.67, 4 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-methylphenyl)ethyl]-5-ethylfuran is sourced from PubChem (CID 79084572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).