1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene

C23H24O4S — CID 70298562

IUPAC1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
SMILESCCS(=O)(=O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C23H24O4S/c1-4-28(24,25)23(18-12-6-5-7-13-18,19-14-8-10-16-21(19)26-2)20-15-9-11-17-22(20)27-3/h5-17H,4H2,1-3H3
InChIKeyCNJFLVDJZXPWFJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.43
Rot. Bonds7

About 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene

1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene (PubChem CID 70298562) has the molecular formula C23H24O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
PubChem CID70298562
Molecular FormulaC23H24O4S
Molecular Weight396.51 g/mol
Exact Mass396.14
IUPAC Name1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
SMILESCCS(=O)(=O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C23H24O4S/c1-4-28(24,25)23(18-12-6-5-7-13-18,19-14-8-10-16-21(19)26-2)20-15-9-11-17-22(20)27-3/h5-17H,4H2,1-3H3
InChIKeyCNJFLVDJZXPWFJ-UHFFFAOYSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 82303075
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
2-(2,2-dihydroxyethylsulfonyl)ethane-1,1-diol;1-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]-diphenylmethyl]-2,3-dimethoxybenzene
CID 70298828
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 67065346

Frequently Asked Questions

What is the IUPAC name of 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The IUPAC name of 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene (CID 70298562) is 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The canonical SMILES for 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene is CCS(=O)(=O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The InChIKey is CNJFLVDJZXPWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4S/c1-4-28(24,25)23(18-12-6-5-7-13-18,19-14-8-10-16-21(19)26-2)20-15-9-11-17-22(20)27-3/h5-17H,4H2,1-3H3.
What are the key properties of 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene has a molecular weight of 396.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene is sourced from PubChem (CID 70298562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).