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

C22H19NO — CID 164732520

IUPAC(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-15-11-13-17(14-12-15)22(24)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3
InChIKeyXBIRGYBLMQUVNZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.23
Rot. Bonds3

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

(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol (PubChem CID 164732520) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
PubChem CID164732520
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-15-11-13-17(14-12-15)22(24)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3
InChIKeyXBIRGYBLMQUVNZ-UHFFFAOYSA-N
XLogP5.23
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The IUPAC name of (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol (CID 164732520) is (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol is Cc1ccc(C(O)c2[nH]c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
The InChIKey is XBIRGYBLMQUVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-15-11-13-17(14-12-15)22(24)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23-21/h2-14,22-24H,1H3.
What are the key properties of (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol?
(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol has a molecular weight of 313.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol is sourced from PubChem (CID 164732520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).