2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol

C18H16N2O2 — CID 135960796

IUPAC2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCOc1cccc(-c2cnc(C)nc2-c2ccccc2O)c1
InChIInChI=1S/C18H16N2O2/c1-12-19-11-16(13-6-5-7-14(10-13)22-2)18(20-12)15-8-3-4-9-17(15)21/h3-11,21H,1-2H3
InChIKeyMCCUNFXDLQVTIR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.83
Rot. Bonds3

About 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol

2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 135960796) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol
PubChem CID135960796
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCOc1cccc(-c2cnc(C)nc2-c2ccccc2O)c1
InChIInChI=1S/C18H16N2O2/c1-12-19-11-16(13-6-5-7-14(10-13)22-2)18(20-12)15-8-3-4-9-17(15)21/h3-11,21H,1-2H3
InChIKeyMCCUNFXDLQVTIR-UHFFFAOYSA-N
XLogP3.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol (CID 135960796) is 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol is COc1cccc(-c2cnc(C)nc2-c2ccccc2O)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is MCCUNFXDLQVTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-19-11-16(13-6-5-7-14(10-13)22-2)18(20-12)15-8-3-4-9-17(15)21/h3-11,21H,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135960796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).