4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol

C24H27NO4 — CID 23520906

IUPAC4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2ccccn2)c2cc(CCO)cc(C)c2O)c1O
InChIInChI=1S/C24H27NO4/c1-15-11-17(6-9-26)13-19(23(15)28)22(21-5-3-4-8-25-21)20-14-18(7-10-27)12-16(2)24(20)29/h3-5,8,11-14,22,26-29H,6-7,9-10H2,1-2H3
InChIKeyJPKMKLZLFVTFIV-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.36
Rot. Bonds7

About 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol

4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol (PubChem CID 23520906) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
PubChem CID23520906
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2ccccn2)c2cc(CCO)cc(C)c2O)c1O
InChIInChI=1S/C24H27NO4/c1-15-11-17(6-9-26)13-19(23(15)28)22(21-5-3-4-8-25-21)20-14-18(7-10-27)12-16(2)24(20)29/h3-5,8,11-14,22,26-29H,6-7,9-10H2,1-2H3
InChIKeyJPKMKLZLFVTFIV-UHFFFAOYSA-N
XLogP3.36
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol
CID 21040728
benzylbenzene;4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]ethyl]-6-methylphenol
CID 91231740
4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
CID 155121466
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol (CID 23520906) is 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol is Cc1cc(CCO)cc(C(c2ccccn2)c2cc(CCO)cc(C)c2O)c1O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol?
The InChIKey is JPKMKLZLFVTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-15-11-17(6-9-26)13-19(23(15)28)22(21-5-3-4-8-25-21)20-14-18(7-10-27)12-16(2)24(20)29/h3-5,8,11-14,22,26-29H,6-7,9-10H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol?
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol has a molecular weight of 393.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol is sourced from PubChem (CID 23520906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).