(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol

C17H15NO3S — CID 58585810

IUPAC(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol
SMILESCS(=O)(=O)c1cnc2ccc(CO)cc2c1-c1ccccc1
InChIInChI=1S/C17H15NO3S/c1-22(20,21)16-10-18-15-8-7-12(11-19)9-14(15)17(16)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3
InChIKeySIWDNSUIFWJITN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.80
Rot. Bonds3

About (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol

(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol (PubChem CID 58585810) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol
PubChem CID58585810
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol
SMILESCS(=O)(=O)c1cnc2ccc(CO)cc2c1-c1ccccc1
InChIInChI=1S/C17H15NO3S/c1-22(20,21)16-10-18-15-8-7-12(11-19)9-14(15)17(16)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3
InChIKeySIWDNSUIFWJITN-UHFFFAOYSA-N
XLogP2.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol?
The IUPAC name of (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol (CID 58585810) is (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol.
What is the SMILES notation for (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol?
The canonical SMILES for (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol is CS(=O)(=O)c1cnc2ccc(CO)cc2c1-c1ccccc1.
What is the InChIKey of (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol?
The InChIKey is SIWDNSUIFWJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-22(20,21)16-10-18-15-8-7-12(11-19)9-14(15)17(16)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3.
What are the key properties of (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol?
(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol has a molecular weight of 313.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonyl-4-phenylquinolin-6-yl)methanol is sourced from PubChem (CID 58585810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).