1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

C23H22ClFO2 — CID 3067121

IUPAC1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFO2/c1-23(2,18-10-12-19(24)13-11-18)16-26-15-17-6-5-7-20(14-17)27-22-9-4-3-8-21(22)25/h3-14H,15-16H2,1-2H3
InChIKeyVFQDNVVCVVECJK-UHFFFAOYSA-N
MW384.88 g/mol
LogP6.77
Rot. Bonds7

About 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (PubChem CID 3067121) has the molecular formula C23H22ClFO2 and a molecular weight of 384.88 g/mol. Its IUPAC name is 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
PubChem CID3067121
Molecular FormulaC23H22ClFO2
Molecular Weight384.88 g/mol
Exact Mass384.13
IUPAC Name1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFO2/c1-23(2,18-10-12-19(24)13-11-18)16-26-15-17-6-5-7-20(14-17)27-22-9-4-3-8-21(22)25/h3-14H,15-16H2,1-2H3
InChIKeyVFQDNVVCVVECJK-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.88
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]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 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (CID 3067121) is 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is CC(C)(COCc1cccc(Oc2ccccc2F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is VFQDNVVCVVECJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFO2/c1-23(2,18-10-12-19(24)13-11-18)16-26-15-17-6-5-7-20(14-17)27-22-9-4-3-8-21(22)25/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 384.88 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-[[3-(2-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 3067121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).