6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol

C24H24O4S — CID 15161063

IUPAC6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCS(=O)(=O)c1ccc(Cc2cc3c(cc2O)CC(CCc2ccccc2)O3)cc1
InChIInChI=1S/C24H24O4S/c1-29(26,27)22-11-8-18(9-12-22)13-19-16-24-20(15-23(19)25)14-21(28-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,15-16,21,25H,7,10,13-14H2,1H3
InChIKeySQDCSZMVWAQBCP-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.32
Rot. Bonds6

About 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol

6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 15161063) has the molecular formula C24H24O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID15161063
Molecular FormulaC24H24O4S
Molecular Weight408.52 g/mol
Exact Mass408.14
IUPAC Name6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCS(=O)(=O)c1ccc(Cc2cc3c(cc2O)CC(CCc2ccccc2)O3)cc1
InChIInChI=1S/C24H24O4S/c1-29(26,27)22-11-8-18(9-12-22)13-19-16-24-20(15-23(19)25)14-21(28-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,15-16,21,25H,7,10,13-14H2,1H3
InChIKeySQDCSZMVWAQBCP-UHFFFAOYSA-N
XLogP4.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol (CID 15161063) is 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol is CS(=O)(=O)c1ccc(Cc2cc3c(cc2O)CC(CCc2ccccc2)O3)cc1.
What is the InChIKey of 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is SQDCSZMVWAQBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4S/c1-29(26,27)22-11-8-18(9-12-22)13-19-16-24-20(15-23(19)25)14-21(28-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,15-16,21,25H,7,10,13-14H2,1H3.
What are the key properties of 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol?
6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 408.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 15161063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).