1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol

C22H24N2O — CID 157341167

IUPAC1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
SMILESCc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1
InChIInChI=1S/C22H24N2O/c1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h4,6-7,9-15,17,25H,3,5,8H2,1-2H3
InChIKeyBYONTOYNQWDJES-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.68
Rot. Bonds6

About 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol

1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol (PubChem CID 157341167) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
PubChem CID157341167
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
SMILESCc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1
InChIInChI=1S/C22H24N2O/c1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h4,6-7,9-15,17,25H,3,5,8H2,1-2H3
InChIKeyBYONTOYNQWDJES-UHFFFAOYSA-N
XLogP4.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The IUPAC name of 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol (CID 157341167) is 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol is Cc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1.
What is the InChIKey of 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The InChIKey is BYONTOYNQWDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h4,6-7,9-15,17,25H,3,5,8H2,1-2H3.
What are the key properties of 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol has a molecular weight of 332.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol is sourced from PubChem (CID 157341167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).