(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol

C17H12Cl2N2O — CID 56679320

IUPAC(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c18-13-7-5-12(6-8-13)17(22,16-9-10-20-11-21-16)14-3-1-2-4-15(14)19/h1-11,22H
InChIKeyCFTMABGAAUAWHV-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.07
Rot. Bonds3

About (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol (PubChem CID 56679320) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol
PubChem CID56679320
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c18-13-7-5-12(6-8-13)17(22,16-9-10-20-11-21-16)14-3-1-2-4-15(14)19/h1-11,22H
InChIKeyCFTMABGAAUAWHV-UHFFFAOYSA-N
XLogP4.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol?
The IUPAC name of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol (CID 56679320) is (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol is OC(c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol?
The InChIKey is CFTMABGAAUAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-13-7-5-12(6-8-13)17(22,16-9-10-20-11-21-16)14-3-1-2-4-15(14)19/h1-11,22H.
What are the key properties of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol?
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol has a molecular weight of 331.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol is sourced from PubChem (CID 56679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).