(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol

C22H19NOS — CID 164732521

IUPAC(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCSc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H19NOS/c1-25-17-13-11-16(12-14-17)22(24)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3
InChIKeyARXDVDOLFABFDY-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.64
Rot. Bonds4

About (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol

(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol (PubChem CID 164732521) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
PubChem CID164732521
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCSc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H19NOS/c1-25-17-13-11-16(12-14-17)22(24)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3
InChIKeyARXDVDOLFABFDY-UHFFFAOYSA-N
XLogP5.64
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The IUPAC name of (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol (CID 164732521) is (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The canonical SMILES for (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol is CSc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The InChIKey is ARXDVDOLFABFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c1-25-17-13-11-16(12-14-17)22(24)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
(4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol has a molecular weight of 345.47 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(3-phenyl-1H-indol-2-yl)methanol is sourced from PubChem (CID 164732521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).