[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone

C33H26O4S — CID 58021566

IUPAC[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H26O4S/c1-24-7-11-27(12-8-24)33(34)28-13-15-29(16-14-28)37-30-17-21-32(22-18-30)38(35,36)31-19-9-26(10-20-31)23-25-5-3-2-4-6-25/h2-22H,23H2,1H3
InChIKeyFOXZEEUETPOYNO-UHFFFAOYSA-N
MW518.63 g/mol
LogP7.44
Rot. Bonds8

About [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 58021566) has the molecular formula C33H26O4S and a molecular weight of 518.63 g/mol. Its IUPAC name is [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID58021566
Molecular FormulaC33H26O4S
Molecular Weight518.63 g/mol
Exact Mass518.16
IUPAC Name[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H26O4S/c1-24-7-11-27(12-8-24)33(34)28-13-15-29(16-14-28)37-30-17-21-32(22-18-30)38(35,36)31-19-9-26(10-20-31)23-25-5-3-2-4-6-25/h2-22H,23H2,1H3
InChIKeyFOXZEEUETPOYNO-UHFFFAOYSA-N
XLogP7.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;ethane;methanesulfonic acid
CID 90840479
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 90830034
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
CID 158257887
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-[4-[4-[4-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
CID 118474115

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone (CID 58021566) is [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is FOXZEEUETPOYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O4S/c1-24-7-11-27(12-8-24)33(34)28-13-15-29(16-14-28)37-30-17-21-32(22-18-30)38(35,36)31-19-9-26(10-20-31)23-25-5-3-2-4-6-25/h2-22H,23H2,1H3.
What are the key properties of [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 518.63 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58021566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).