2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol

C25H28O6S — CID 2817744

IUPAC2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol
SMILESCOc1ccc(C(OCCS(=O)(=O)CCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O6S/c1-29-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,22-10-14-24(30-2)15-11-22)31-17-19-32(27,28)18-16-26/h3-15,26H,16-19H2,1-2H3
InChIKeyBMUIOJXOMHOGTE-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.42
Rot. Bonds11

About 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol

2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol (PubChem CID 2817744) has the molecular formula C25H28O6S and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol
PubChem CID2817744
Molecular FormulaC25H28O6S
Molecular Weight456.56 g/mol
Exact Mass456.16
IUPAC Name2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol
SMILESCOc1ccc(C(OCCS(=O)(=O)CCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O6S/c1-29-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,22-10-14-24(30-2)15-11-22)31-17-19-32(27,28)18-16-26/h3-15,26H,16-19H2,1-2H3
InChIKeyBMUIOJXOMHOGTE-UHFFFAOYSA-N
XLogP3.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-Benzyloxy-phenyl)-heptane-1-sulfonic acid methyl ester
CID 25017611
4-Methoxy-alpha,alpha-bis(4-methoxyphenyl)benzenemethanol
CID 76380
1-(7-Methylsulfonylheptyl)-4-phenylmethoxybenzene
CID 118855559
2-[(4-Methoxyphenyl)-diphenylmethoxy]ethanol
CID 67427052
1-[(4-Methoxybenzyl)sulfonyl]-2-phenyl-2-propanol
CID 3670812
11-[1-(4-Methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylundecan-1-ol
CID 10391961
5-Benzyl-5-ethyl-4-[(4-methoxyphenyl)methoxy]oxathiole 2,2-dioxide
CID 25257895
Phenyl 5-(4-hydroxyphenyl)-6-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
CID 44421511
4-[5-(Benzenesulfonyl)-3-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenol
CID 44421513
ethyl (E)-2-[4-[[3-[[4-[(E)-2-ethoxysulfonylethenyl]phenoxy]methyl]phenyl]methoxy]phenyl]ethenesulfonate
CID 137650241
4,4'-Dimethoxytrityl trifluoromethanesulfonate
CID 18757217
S-Dimethoxytritylmercaptoethanol
CID 399497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol?
The IUPAC name of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol (CID 2817744) is 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol.
What is the SMILES notation for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol?
The canonical SMILES for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol is COc1ccc(C(OCCS(=O)(=O)CCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol?
The InChIKey is BMUIOJXOMHOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O6S/c1-29-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,22-10-14-24(30-2)15-11-22)31-17-19-32(27,28)18-16-26/h3-15,26H,16-19H2,1-2H3.
What are the key properties of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol?
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol has a molecular weight of 456.56 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethanol is sourced from PubChem (CID 2817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).