(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol

C16H14O4S — CID 59225589

IUPAC(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol
SMILESCS(=O)(=O)c1cc(CO)c2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H14O4S/c1-21(18,19)14-7-12-9-15(11-5-3-2-4-6-11)20-16(12)13(8-14)10-17/h2-9,17H,10H2,1H3
InChIKeyDWTGFUPHYIZMBV-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.00
Rot. Bonds3

About (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol

(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol (PubChem CID 59225589) has the molecular formula C16H14O4S and a molecular weight of 302.35 g/mol. Its IUPAC name is (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol
PubChem CID59225589
Molecular FormulaC16H14O4S
Molecular Weight302.35 g/mol
Exact Mass302.06
IUPAC Name(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol
SMILESCS(=O)(=O)c1cc(CO)c2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H14O4S/c1-21(18,19)14-7-12-9-15(11-5-3-2-4-6-11)20-16(12)13(8-14)10-17/h2-9,17H,10H2,1H3
InChIKeyDWTGFUPHYIZMBV-UHFFFAOYSA-N
XLogP3.00
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol?
The IUPAC name of (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol (CID 59225589) is (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol?
The canonical SMILES for (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol is CS(=O)(=O)c1cc(CO)c2oc(-c3ccccc3)cc2c1.
What is the InChIKey of (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol?
The InChIKey is DWTGFUPHYIZMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4S/c1-21(18,19)14-7-12-9-15(11-5-3-2-4-6-11)20-16(12)13(8-14)10-17/h2-9,17H,10H2,1H3.
What are the key properties of (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol?
(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol has a molecular weight of 302.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 59225589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).