(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol

C12H11ClN2O — CID 115527894

IUPAC(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-14-7-6-11(15-8)12(16)9-4-2-3-5-10(9)13/h2-7,12,16H,1H3
InChIKeyOCPKEUGGKKVEDK-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.52
Rot. Bonds2

About (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol

(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527894) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527894
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-14-7-6-11(15-8)12(16)9-4-2-3-5-10(9)13/h2-7,12,16H,1H3
InChIKeyOCPKEUGGKKVEDK-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 115527988
(2-methylpyrimidin-4-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115527943
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 115527974
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
(2-chlorophenyl)-(5-methylfuran-2-yl)methanol
CID 23912548
furan-3-yl-(2-methylpyrimidin-4-yl)methanol
CID 115528038
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(2-chlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373672
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol (CID 115527894) is (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2ccccc2Cl)n1.
What is the InChIKey of (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is OCPKEUGGKKVEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-14-7-6-11(15-8)12(16)9-4-2-3-5-10(9)13/h2-7,12,16H,1H3.
What are the key properties of (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol?
(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 234.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).