5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol

C24H22F2O7S — CID 123973778

IUPAC5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)COC3O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H22F2O7S/c1-30-20-10-9-18(15-5-8-19-16(11-15)13-32-23(19)27)21(22(20)33-24(25)26)31-12-14-3-6-17(7-4-14)34(2,28)29/h3-11,23-24,27H,12-13H2,1-2H3
InChIKeyKCZCFFKOZKYFQR-UHFFFAOYSA-N
MW492.50 g/mol
LogP4.47
Rot. Bonds8

About 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol

5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 123973778) has the molecular formula C24H22F2O7S and a molecular weight of 492.50 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol
PubChem CID123973778
Molecular FormulaC24H22F2O7S
Molecular Weight492.50 g/mol
Exact Mass492.11
IUPAC Name5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)COC3O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H22F2O7S/c1-30-20-10-9-18(15-5-8-19-16(11-15)13-32-23(19)27)21(22(20)33-24(25)26)31-12-14-3-6-17(7-4-14)34(2,28)29/h3-11,23-24,27H,12-13H2,1-2H3
InChIKeyKCZCFFKOZKYFQR-UHFFFAOYSA-N
XLogP4.47
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol (CID 123973778) is 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol is COc1ccc(-c2ccc3c(c2)COC3O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OC(F)F.
What is the InChIKey of 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is KCZCFFKOZKYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O7S/c1-30-20-10-9-18(15-5-8-19-16(11-15)13-32-23(19)27)21(22(20)33-24(25)26)31-12-14-3-6-17(7-4-14)34(2,28)29/h3-11,23-24,27H,12-13H2,1-2H3.
What are the key properties of 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol?
5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 492.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)-4-methoxy-2-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 123973778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).