4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran

C23H26ClFO — CID 141210676

IUPAC4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran
SMILESCCc1ccc(-c2ccc(Cl)cc2F)cc1C1=CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C23H26ClFO/c1-6-15-7-8-16(19-10-9-18(24)12-21(19)25)11-20(15)17-13-22(2,3)26-23(4,5)14-17/h7-13H,6,14H2,1-5H3
InChIKeyPWIQMRRWIIUQJN-UHFFFAOYSA-N
MW372.91 g/mol
LogP7.07
Rot. Bonds3

About 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran

4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran (PubChem CID 141210676) has the molecular formula C23H26ClFO and a molecular weight of 372.91 g/mol. Its IUPAC name is 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran.

Molecular Properties

Compound Name4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran
PubChem CID141210676
Molecular FormulaC23H26ClFO
Molecular Weight372.91 g/mol
Exact Mass372.17
IUPAC Name4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran
SMILESCCc1ccc(-c2ccc(Cl)cc2F)cc1C1=CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C23H26ClFO/c1-6-15-7-8-16(19-10-9-18(24)12-21(19)25)11-20(15)17-13-22(2,3)26-23(4,5)14-17/h7-13H,6,14H2,1-5H3
InChIKeyPWIQMRRWIIUQJN-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.91
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran?
The IUPAC name of 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran (CID 141210676) is 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran.
What is the SMILES notation for 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran?
The canonical SMILES for 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran is CCc1ccc(-c2ccc(Cl)cc2F)cc1C1=CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran?
The InChIKey is PWIQMRRWIIUQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFO/c1-6-15-7-8-16(19-10-9-18(24)12-21(19)25)11-20(15)17-13-22(2,3)26-23(4,5)14-17/h7-13H,6,14H2,1-5H3.
What are the key properties of 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran?
4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran has a molecular weight of 372.91 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-2,2,6,6-tetramethyl-3H-pyran is sourced from PubChem (CID 141210676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).