4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran

C31H28O5S — CID 15480614

IUPAC4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran
SMILESCOc1ccc(C(OCC2COC=C2S(=O)(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H28O5S/c1-34-28-19-17-27(18-20-28)31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)36-22-24-21-35-23-30(24)37(32,33)29-15-9-4-10-16-29/h2-20,23-24H,21-22H2,1H3
InChIKeyBSMXFGOUOLJFQT-UHFFFAOYSA-N
MW512.63 g/mol
LogP5.97
Rot. Bonds9

About 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran

4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran (PubChem CID 15480614) has the molecular formula C31H28O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran
PubChem CID15480614
Molecular FormulaC31H28O5S
Molecular Weight512.63 g/mol
Exact Mass512.17
IUPAC Name4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran
SMILESCOc1ccc(C(OCC2COC=C2S(=O)(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H28O5S/c1-34-28-19-17-27(18-20-28)31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)36-22-24-21-35-23-30(24)37(32,33)29-15-9-4-10-16-29/h2-20,23-24H,21-22H2,1H3
InChIKeyBSMXFGOUOLJFQT-UHFFFAOYSA-N
XLogP5.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran 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

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
CID 23244298
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
CID 89240141
CID 89240141
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
CID 168862216
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran?
The IUPAC name of 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran (CID 15480614) is 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran.
What is the SMILES notation for 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran?
The canonical SMILES for 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran is COc1ccc(C(OCC2COC=C2S(=O)(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran?
The InChIKey is BSMXFGOUOLJFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5S/c1-34-28-19-17-27(18-20-28)31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)36-22-24-21-35-23-30(24)37(32,33)29-15-9-4-10-16-29/h2-20,23-24H,21-22H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran?
4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran has a molecular weight of 512.63 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran is sourced from PubChem (CID 15480614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).