1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol

C28H27NO2 — CID 101228900

IUPAC1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H27NO2/c1-20-11-15-23(16-12-20)28(31,24-17-13-21(2)14-18-24)27-10-6-9-25(29-27)26(30)19-22-7-4-3-5-8-22/h3-18,26,30-31H,19H2,1-2H3
InChIKeyMXAKMXHWAWIGGM-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.26
Rot. Bonds6

About 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol

1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol (PubChem CID 101228900) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol.

Molecular Properties

Compound Name1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol
PubChem CID101228900
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H27NO2/c1-20-11-15-23(16-12-20)28(31,24-17-13-21(2)14-18-24)27-10-6-9-25(29-27)26(30)19-22-7-4-3-5-8-22/h3-18,26,30-31H,19H2,1-2H3
InChIKeyMXAKMXHWAWIGGM-UHFFFAOYSA-N
XLogP5.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol?
The IUPAC name of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol (CID 101228900) is 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol.
What is the SMILES notation for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol?
The canonical SMILES for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol is Cc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol?
The InChIKey is MXAKMXHWAWIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-20-11-15-23(16-12-20)28(31,24-17-13-21(2)14-18-24)27-10-6-9-25(29-27)26(30)19-22-7-4-3-5-8-22/h3-18,26,30-31H,19H2,1-2H3.
What are the key properties of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol?
1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol has a molecular weight of 409.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-phenylethanol is sourced from PubChem (CID 101228900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).