(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C17H16ClFO2 — CID 146005384

IUPAC(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H16ClFO2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)14-10-12(18)6-9-15(14)19/h4-10H,1-3H3
InChIKeyVWHQVZLJXAFZOZ-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.89
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 146005384) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID146005384
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H16ClFO2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)14-10-12(18)6-9-15(14)19/h4-10H,1-3H3
InChIKeyVWHQVZLJXAFZOZ-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone 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 (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 146005384) is (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CC(C)(C)Oc1ccc(C(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is VWHQVZLJXAFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)14-10-12(18)6-9-15(14)19/h4-10H,1-3H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 306.76 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 146005384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).