[4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol

C17H12Cl2N2O — CID 70291381

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

About [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol

[4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol (PubChem CID 70291381) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name[4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol
PubChem CID70291381
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name[4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1ccc(Cl)cc1-c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c18-12-5-6-14(17(22)11-8-20-10-21-9-11)15(7-12)13-3-1-2-4-16(13)19/h1-10,17,22H
InChIKeyUZJGRWGTEWNKDA-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 [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol?
The IUPAC name of [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol (CID 70291381) is [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol.
What is the SMILES notation for [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol?
The canonical SMILES for [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1ccc(Cl)cc1-c1ccccc1Cl.
What is the InChIKey of [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol?
The InChIKey is UZJGRWGTEWNKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-12-5-6-14(17(22)11-8-20-10-21-9-11)15(7-12)13-3-1-2-4-16(13)19/h1-10,17,22H.
What are the key properties of [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol?
[4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol 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 [4-chloro-2-(2-chlorophenyl)phenyl]-pyrimidin-5-ylmethanol is sourced from PubChem (CID 70291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).