(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol

C12H10Cl2N2O2 — CID 59753866

IUPAC(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)10(17)8-6-15-12(14)16-11(8)13/h2-6,10,17H,1H3
InChIKeyXNRVQCHJCVCHEL-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.87
Rot. Bonds3

About (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol

(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol (PubChem CID 59753866) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
PubChem CID59753866
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)10(17)8-6-15-12(14)16-11(8)13/h2-6,10,17H,1H3
InChIKeyXNRVQCHJCVCHEL-UHFFFAOYSA-N
XLogP2.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichloropyrimidin-5-yl)-phenylmethanol
CID 15053973
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
2,4-dichloro-5-(dimethoxymethyl)pyrimidine
CID 139536241
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 15147552
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine
CID 79072741
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(2-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950226

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol?
The IUPAC name of (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol (CID 59753866) is (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1cnc(Cl)nc1Cl.
What is the InChIKey of (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol?
The InChIKey is XNRVQCHJCVCHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)10(17)8-6-15-12(14)16-11(8)13/h2-6,10,17H,1H3.
What are the key properties of (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol?
(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol has a molecular weight of 285.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol is sourced from PubChem (CID 59753866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).