2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene

C17H18ClFO — CID 103041751

IUPAC2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
SMILESCc1ccc(C(C)C)cc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFO/c1-11(2)14-6-4-12(3)17(9-14)20-10-13-5-7-16(19)15(18)8-13/h4-9,11H,10H2,1-3H3
InChIKeyLBIZNYBNIXWPSQ-UHFFFAOYSA-N
MW292.78 g/mol
LogP5.49
Rot. Bonds4

About 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene

2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene (PubChem CID 103041751) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
PubChem CID103041751
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
SMILESCc1ccc(C(C)C)cc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFO/c1-11(2)14-6-4-12(3)17(9-14)20-10-13-5-7-16(19)15(18)8-13/h4-9,11H,10H2,1-3H3
InChIKeyLBIZNYBNIXWPSQ-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.78
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene (CID 103041751) is 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene is Cc1ccc(C(C)C)cc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is LBIZNYBNIXWPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-11(2)14-6-4-12(3)17(9-14)20-10-13-5-7-16(19)15(18)8-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 292.78 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 103041751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).