2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol

C17H13ClN2O2 — CID 921217

IUPAC2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(Oc2ccc(Cl)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H13ClN2O2/c1-11-10-16(22-13-8-6-12(18)7-9-13)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3
InChIKeyYOQQCJYWVRFEFM-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.60
Rot. Bonds3

About 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol

2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol (PubChem CID 921217) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol
PubChem CID921217
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(Oc2ccc(Cl)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H13ClN2O2/c1-11-10-16(22-13-8-6-12(18)7-9-13)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3
InChIKeyYOQQCJYWVRFEFM-UHFFFAOYSA-N
XLogP4.60
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
(6Z)-6-[4-(3-chloroanilino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719251
2-[4-(Propan-2-yloxy)quinazolin-2-yl]phenol
CID 659553
2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719255
(6Z)-6-[4-(2-chloroanilino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719260
2-(2-Chlorophenyl)-4-ethoxyquinazoline
CID 914488
2-(4-Chlorophenyl)-4-propan-2-yloxyquinazoline
CID 914635
2-(2-Chlorophenyl)-4-prop-2-enoxyquinazoline
CID 3742855
2-(4-Methyl-6-phenoxypyrimidin-2-yl)phenol
CID 659561
6-(4-ethoxy-1H-quinazolin-2-ylidene)-1-cyclohexa-2,4-dienone
CID 3244112
Benzenemethanol, 4-((2-amino-6-(5-chloro-2-ethoxyphenyl)-4-pyrimidinyl)amino)-
CID 10406874
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(4-chloro-phenyl)-pyrimidine-2,4-diamine
CID 11164727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol (CID 921217) is 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol is Cc1cc(Oc2ccc(Cl)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is YOQQCJYWVRFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-10-16(22-13-8-6-12(18)7-9-13)20-17(19-11)14-4-2-3-5-15(14)21/h2-10,21H,1H3.
What are the key properties of 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol?
2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 312.76 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).