[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol

C20H23NO3S — CID 139789141

IUPAC[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
SMILESCCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccccc1CO
InChIInChI=1S/C20H23NO3S/c1-3-6-18-11-17-12-19(25(2,23)24)9-10-20(17)21(18)13-15-7-4-5-8-16(15)14-22/h4-5,7-12,22H,3,6,13-14H2,1-2H3
InChIKeyCWJPMZQVYUTKOV-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.54
Rot. Bonds6

About [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol

[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol (PubChem CID 139789141) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
PubChem CID139789141
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
SMILESCCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccccc1CO
InChIInChI=1S/C20H23NO3S/c1-3-6-18-11-17-12-19(25(2,23)24)9-10-20(17)21(18)13-15-7-4-5-8-16(15)14-22/h4-5,7-12,22H,3,6,13-14H2,1-2H3
InChIKeyCWJPMZQVYUTKOV-UHFFFAOYSA-N
XLogP3.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol (CID 139789141) is [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol is CCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccccc1CO.
What is the InChIKey of [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The InChIKey is CWJPMZQVYUTKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-3-6-18-11-17-12-19(25(2,23)24)9-10-20(17)21(18)13-15-7-4-5-8-16(15)14-22/h4-5,7-12,22H,3,6,13-14H2,1-2H3.
What are the key properties of [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
[2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol has a molecular weight of 357.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 139789141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).