1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole

C23H20ClNO — CID 71602228

IUPAC1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole
SMILESCc1cc(Oc2cccc(Cn3ccc4ccccc43)c2)cc(C)c1Cl
InChIInChI=1S/C23H20ClNO/c1-16-12-21(13-17(2)23(16)24)26-20-8-5-6-18(14-20)15-25-11-10-19-7-3-4-9-22(19)25/h3-14H,15H2,1-2H3
InChIKeyKWPBRJKWIKCNEJ-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.75
Rot. Bonds4

About 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole

1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole (PubChem CID 71602228) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole.

Molecular Properties

Compound Name1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole
PubChem CID71602228
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole
SMILESCc1cc(Oc2cccc(Cn3ccc4ccccc43)c2)cc(C)c1Cl
InChIInChI=1S/C23H20ClNO/c1-16-12-21(13-17(2)23(16)24)26-20-8-5-6-18(14-20)15-25-11-10-19-7-3-4-9-22(19)25/h3-14H,15H2,1-2H3
InChIKeyKWPBRJKWIKCNEJ-UHFFFAOYSA-N
XLogP6.75
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole 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-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole?
The IUPAC name of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole (CID 71602228) is 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole.
What is the SMILES notation for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole?
The canonical SMILES for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole is Cc1cc(Oc2cccc(Cn3ccc4ccccc43)c2)cc(C)c1Cl.
What is the InChIKey of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole?
The InChIKey is KWPBRJKWIKCNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-16-12-21(13-17(2)23(16)24)26-20-8-5-6-18(14-20)15-25-11-10-19-7-3-4-9-22(19)25/h3-14H,15H2,1-2H3.
What are the key properties of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole?
1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole has a molecular weight of 361.87 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]indole is sourced from PubChem (CID 71602228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).