3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol

C11H9ClN2O2 — CID 105370168

IUPAC3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol
SMILESCc1c(O)cccc1Oc1ncncc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-9(15)3-2-4-10(7)16-11-8(12)5-13-6-14-11/h2-6,15H,1H3
InChIKeyIFJBJVLCYRDDKA-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol

3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol (PubChem CID 105370168) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol.

Molecular Properties

Compound Name3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol
PubChem CID105370168
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol
SMILESCc1c(O)cccc1Oc1ncncc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-9(15)3-2-4-10(7)16-11-8(12)5-13-6-14-11/h2-6,15H,1H3
InChIKeyIFJBJVLCYRDDKA-UHFFFAOYSA-N
XLogP2.94
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485504
2-methyl-3-pyridin-4-yloxyphenol
CID 60871245
3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
CID 112676280
2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol
CID 65276029
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160
4-(5-chloropyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 105369793
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol?
The IUPAC name of 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol (CID 105370168) is 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol.
What is the SMILES notation for 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol?
The canonical SMILES for 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol is Cc1c(O)cccc1Oc1ncncc1Cl.
What is the InChIKey of 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol?
The InChIKey is IFJBJVLCYRDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-9(15)3-2-4-10(7)16-11-8(12)5-13-6-14-11/h2-6,15H,1H3.
What are the key properties of 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol?
3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol has a molecular weight of 236.66 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol is sourced from PubChem (CID 105370168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).