1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene

C23H23ClOS — CID 11731727

IUPAC1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene
SMILESCOc1ccc(CC(CCc2ccccc2)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClOS/c1-25-21-12-7-19(8-13-21)17-23(14-9-18-5-3-2-4-6-18)26-22-15-10-20(24)11-16-22/h2-8,10-13,15-16,23H,9,14,17H2,1H3
InChIKeyGEVHXFHMHPDOIV-UHFFFAOYSA-N
MW382.96 g/mol
LogP6.68
Rot. Bonds8

About 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene

1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene (PubChem CID 11731727) has the molecular formula C23H23ClOS and a molecular weight of 382.96 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene
PubChem CID11731727
Molecular FormulaC23H23ClOS
Molecular Weight382.96 g/mol
Exact Mass382.12
IUPAC Name1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene
SMILESCOc1ccc(CC(CCc2ccccc2)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClOS/c1-25-21-12-7-19(8-13-21)17-23(14-9-18-5-3-2-4-6-18)26-22-15-10-20(24)11-16-22/h2-8,10-13,15-16,23H,9,14,17H2,1H3
InChIKeyGEVHXFHMHPDOIV-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.96
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

Ethane, 1-(4-methoxyphenyl)-1-phenylthio-
CID 3045428
1-(4-Benzylphenoxy)-3-(2-chlorophenyl)sulfanylpropan-2-ol
CID 70684290
3-(4-Chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 2731434
Benzene, 1-methoxy-4-(1-(phenylthio)pentyl)-
CID 208881
Benzene, 1-methoxy-4-(1-(phenylthio)propyl)-
CID 3045429
p-(1-(p-Tolylthio)butyl)anisole
CID 3045430
p-(2-Methyl-1-(phenylthio)propyl)anisole
CID 3045431
Benzene, 1-methoxy-4-(1-(phenylthio)butyl)-
CID 3045432
Benzene, 1-methoxy-4-(1-(phenylthio)hexyl)-
CID 3045433
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-phenylthiopropan-1-one
CID 4176195
6-Ethyl-2-methoxy-5-phenylbenzo[b][1]benzothiepine
CID 44269683
3-(4-Chlorophenyl)sulfanyl-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 56665188

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene (CID 11731727) is 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene is COc1ccc(CC(CCc2ccccc2)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene?
The InChIKey is GEVHXFHMHPDOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClOS/c1-25-21-12-7-19(8-13-21)17-23(14-9-18-5-3-2-4-6-18)26-22-15-10-20(24)11-16-22/h2-8,10-13,15-16,23H,9,14,17H2,1H3.
What are the key properties of 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene?
1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene has a molecular weight of 382.96 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene is sourced from PubChem (CID 11731727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).