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

C19H18N2O2 — CID 135960808

IUPAC2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1C
InChIInChI=1S/C19H18N2O2/c1-12-10-14(8-9-18(12)23-3)16-11-20-13(2)21-19(16)15-6-4-5-7-17(15)22/h4-11,22H,1-3H3
InChIKeySRMSHXNVASAPNH-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds3

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

2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 135960808) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol
PubChem CID135960808
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1C
InChIInChI=1S/C19H18N2O2/c1-12-10-14(8-9-18(12)23-3)16-11-20-13(2)21-19(16)15-6-4-5-7-17(15)22/h4-11,22H,1-3H3
InChIKeySRMSHXNVASAPNH-UHFFFAOYSA-N
XLogP4.14
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol (CID 135960808) is 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol is COc1ccc(-c2cnc(C)nc2-c2ccccc2O)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is SRMSHXNVASAPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-10-14(8-9-18(12)23-3)16-11-20-13(2)21-19(16)15-6-4-5-7-17(15)22/h4-11,22H,1-3H3.
What are the key properties of 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 306.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135960808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).