2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran

C19H25ClO — CID 79096016

IUPAC2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2ccc(C(C)C)cc2C(C)C)o1
InChIInChI=1S/C19H25ClO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6H2,1-5H3
InChIKeyXNPBIBVUJBWZCB-UHFFFAOYSA-N
MW304.86 g/mol
LogP6.42
Rot. Bonds5

About 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran

2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran (PubChem CID 79096016) has the molecular formula C19H25ClO and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
PubChem CID79096016
Molecular FormulaC19H25ClO
Molecular Weight304.86 g/mol
Exact Mass304.16
IUPAC Name2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2ccc(C(C)C)cc2C(C)C)o1
InChIInChI=1S/C19H25ClO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6H2,1-5H3
InChIKeyXNPBIBVUJBWZCB-UHFFFAOYSA-N
XLogP6.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.86
LogP ≤ 56.42
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-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran?
The IUPAC name of 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran (CID 79096016) is 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran.
What is the SMILES notation for 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran?
The canonical SMILES for 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran is CCc1ccc(C(Cl)c2ccc(C(C)C)cc2C(C)C)o1.
What is the InChIKey of 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran?
The InChIKey is XNPBIBVUJBWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6H2,1-5H3.
What are the key properties of 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran?
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran has a molecular weight of 304.86 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran is sourced from PubChem (CID 79096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).