4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol

C16H10Cl2N2O — CID 1479928

IUPAC4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C16H10Cl2N2O/c17-11-3-6-13(14(18)9-11)15-7-8-19-16(20-15)10-1-4-12(21)5-2-10/h1-9,21H
InChIKeyFJKGHFSIYGQJCT-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.82
Rot. Bonds2

About 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol

4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol (PubChem CID 1479928) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol
PubChem CID1479928
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C16H10Cl2N2O/c17-11-3-6-13(14(18)9-11)15-7-8-19-16(20-15)10-1-4-12(21)5-2-10/h1-9,21H
InChIKeyFJKGHFSIYGQJCT-UHFFFAOYSA-N
XLogP4.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol (CID 1479928) is 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol is Oc1ccc(-c2nccc(-c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol?
The InChIKey is FJKGHFSIYGQJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-11-3-6-13(14(18)9-11)15-7-8-19-16(20-15)10-1-4-12(21)5-2-10/h1-9,21H.
What are the key properties of 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol?
4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol has a molecular weight of 317.18 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 1479928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).