1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene

C16H16Cl2O — CID 22087476

IUPAC1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2O/c1-11(2)7-12-3-5-15(6-4-12)19-16-9-13(17)8-14(18)10-16/h3-6,8-11H,7H2,1-2H3
InChIKeyCQTBAXADWKEBMP-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.98
Rot. Bonds4

About 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene

1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene (PubChem CID 22087476) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
PubChem CID22087476
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2O/c1-11(2)7-12-3-5-15(6-4-12)19-16-9-13(17)8-14(18)10-16/h3-6,8-11H,7H2,1-2H3
InChIKeyCQTBAXADWKEBMP-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]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 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene (CID 22087476) is 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene is CC(C)Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene?
The InChIKey is CQTBAXADWKEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-11(2)7-12-3-5-15(6-4-12)19-16-9-13(17)8-14(18)10-16/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene?
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene has a molecular weight of 295.21 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene is sourced from PubChem (CID 22087476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).