(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol

C18H15ClN2O2 — CID 56658369

IUPAC(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccccc1C(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C18H15ClN2O2/c1-23-17-5-3-2-4-16(17)18(22,14-10-20-12-21-11-14)13-6-8-15(19)9-7-13/h2-12,22H,1H3
InChIKeyATEXWMNIEDEVTE-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.42
Rot. Bonds4

About (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol (PubChem CID 56658369) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol
PubChem CID56658369
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccccc1C(O)(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C18H15ClN2O2/c1-23-17-5-3-2-4-16(17)18(22,14-10-20-12-21-11-14)13-6-8-15(19)9-7-13/h2-12,22H,1H3
InChIKeyATEXWMNIEDEVTE-UHFFFAOYSA-N
XLogP3.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol (CID 56658369) is (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol is COc1ccccc1C(O)(c1ccc(Cl)cc1)c1cncnc1.
What is the InChIKey of (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is ATEXWMNIEDEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-17-5-3-2-4-16(17)18(22,14-10-20-12-21-11-14)13-6-8-15(19)9-7-13/h2-12,22H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 326.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56658369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).