2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol

C17H13ClN2O — CID 135960799

IUPAC2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(-c2ccc(Cl)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H13ClN2O/c1-11-19-10-15(12-6-8-13(18)9-7-12)17(20-11)14-4-2-3-5-16(14)21/h2-10,21H,1H3
InChIKeyJRFQHIZJMAVQFT-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.48
Rot. Bonds2

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

2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 135960799) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol
PubChem CID135960799
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(-c2ccc(Cl)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H13ClN2O/c1-11-19-10-15(12-6-8-13(18)9-7-12)17(20-11)14-4-2-3-5-16(14)21/h2-10,21H,1H3
InChIKeyJRFQHIZJMAVQFT-UHFFFAOYSA-N
XLogP4.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol (CID 135960799) is 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol is Cc1ncc(-c2ccc(Cl)cc2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is JRFQHIZJMAVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-19-10-15(12-6-8-13(18)9-7-12)17(20-11)14-4-2-3-5-16(14)21/h2-10,21H,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 296.76 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135960799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).