1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene

C23H24O4S — CID 57294942

IUPAC1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
SMILESCCC(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H24O4S/c1-3-23(28(24,25)22-15-13-20(26-2)14-16-22)19-9-11-21(12-10-19)27-17-18-7-5-4-6-8-18/h4-16,23H,3,17H2,1-2H3
InChIKeyMTRJRMASDKDGHX-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.20
Rot. Bonds8

About 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene

1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene (PubChem CID 57294942) has the molecular formula C23H24O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
PubChem CID57294942
Molecular FormulaC23H24O4S
Molecular Weight396.51 g/mol
Exact Mass396.14
IUPAC Name1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
SMILESCCC(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H24O4S/c1-3-23(28(24,25)22-15-13-20(26-2)14-16-22)19-9-11-21(12-10-19)27-17-18-7-5-4-6-8-18/h4-16,23H,3,17H2,1-2H3
InChIKeyMTRJRMASDKDGHX-UHFFFAOYSA-N
XLogP5.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 22463264
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-[1-(4-chlorophenyl)sulfonylpropyl]phenol;1-[1-(4-chlorophenyl)sulfonylpropyl]-3-phenylmethoxybenzene
CID 158595034
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898665
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene (CID 57294942) is 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene is CCC(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene?
The InChIKey is MTRJRMASDKDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4S/c1-3-23(28(24,25)22-15-13-20(26-2)14-16-22)19-9-11-21(12-10-19)27-17-18-7-5-4-6-8-18/h4-16,23H,3,17H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene?
1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene has a molecular weight of 396.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 57294942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).