(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol

C17H12Cl2N2O — CID 67914612

IUPAC(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol
SMILESOC(c1ccccc1Cl)c1ccc(Cl)cc1-c1cncnc1
InChIInChI=1S/C17H12Cl2N2O/c18-12-5-6-13(15(7-12)11-8-20-10-21-9-11)17(22)14-3-1-2-4-16(14)19/h1-10,17,22H
InChIKeyWBJPLWDQKFGJNH-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.53
Rot. Bonds3

About (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol

(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol (PubChem CID 67914612) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol
PubChem CID67914612
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol
SMILESOC(c1ccccc1Cl)c1ccc(Cl)cc1-c1cncnc1
InChIInChI=1S/C17H12Cl2N2O/c18-12-5-6-13(15(7-12)11-8-20-10-21-9-11)17(22)14-3-1-2-4-16(14)19/h1-10,17,22H
InChIKeyWBJPLWDQKFGJNH-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol (CID 67914612) is (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol is OC(c1ccccc1Cl)c1ccc(Cl)cc1-c1cncnc1.
What is the InChIKey of (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol?
The InChIKey is WBJPLWDQKFGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-12-5-6-13(15(7-12)11-8-20-10-21-9-11)17(22)14-3-1-2-4-16(14)19/h1-10,17,22H.
What are the key properties of (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol?
(2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol has a molecular weight of 331.20 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-chloro-2-pyrimidin-5-ylphenyl)methanol is sourced from PubChem (CID 67914612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).