1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

C24H32O3S — CID 161260281

IUPAC1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H32O3S/c1-19(2)28(25,26)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)27-23-8-4-3-5-9-23/h3-10,17,19-20,22H,11-16,18H2,1-2H3
InChIKeyKGCJQNVBTPDWJX-UHFFFAOYSA-N
MW400.58 g/mol
LogP6.04
Rot. Bonds8

About 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (PubChem CID 161260281) has the molecular formula C24H32O3S and a molecular weight of 400.58 g/mol. Its IUPAC name is 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
PubChem CID161260281
Molecular FormulaC24H32O3S
Molecular Weight400.58 g/mol
Exact Mass400.21
IUPAC Name1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H32O3S/c1-19(2)28(25,26)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)27-23-8-4-3-5-9-23/h3-10,17,19-20,22H,11-16,18H2,1-2H3
InChIKeyKGCJQNVBTPDWJX-UHFFFAOYSA-N
XLogP6.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene 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

1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159613987
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159200457
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417
(3R,5R)-3,5-dimethyl-1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine
CID 157456647
1-methoxy-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]dibenzofuran
CID 161260282
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (CID 161260281) is 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is CC(C)S(=O)(=O)CC1CCC(CCc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The InChIKey is KGCJQNVBTPDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3S/c1-19(2)28(25,26)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)27-23-8-4-3-5-9-23/h3-10,17,19-20,22H,11-16,18H2,1-2H3.
What are the key properties of 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene has a molecular weight of 400.58 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 161260281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).