methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

C14H13ClN2O5 — CID 1214892

IUPACmethyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13ClN2O5/c1-19-11-7-12(20-2)17-14(16-11)22-10-5-4-8(15)6-9(10)13(18)21-3/h4-7H,1-3H3
InChIKeyPHHKBDWTWIQZFB-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.73
Rot. Bonds5

About methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (PubChem CID 1214892) has the molecular formula C14H13ClN2O5 and a molecular weight of 324.72 g/mol. Its IUPAC name is methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
PubChem CID1214892
Molecular FormulaC14H13ClN2O5
Molecular Weight324.72 g/mol
Exact Mass324.05
IUPAC Namemethyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13ClN2O5/c1-19-11-7-12(20-2)17-14(16-11)22-10-5-4-8(15)6-9(10)13(18)21-3/h4-7H,1-3H3
InChIKeyPHHKBDWTWIQZFB-UHFFFAOYSA-N
XLogP2.73
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
methyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-3-methoxycarbonylphenyl]methyl]benzoate
CID 2748079
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
methyl 5-chloro-2-[[6-(4-chloro-2-methoxycarbonylphenoxy)-5-nitro-2-pyridinyl]oxy]benzoate
CID 2741452
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate
CID 15239990
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (CID 1214892) is methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1cc(Cl)ccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is PHHKBDWTWIQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O5/c1-19-11-7-12(20-2)17-14(16-11)22-10-5-4-8(15)6-9(10)13(18)21-3/h4-7H,1-3H3.
What are the key properties of methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 324.72 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 1214892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).