2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol

C17H12F2N2O3 — CID 163853888

IUPAC2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol
SMILESCOc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F
InChIInChI=1S/C17H12F2N2O3/c1-23-14-9-10(5-6-12(14)18)24-15-7-8-20-17(21-15)11-3-2-4-13(22)16(11)19/h2-9,22H,1H3
InChIKeyOWRATUHJYAJDQZ-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol

2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol (PubChem CID 163853888) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol
PubChem CID163853888
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol
SMILESCOc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F
InChIInChI=1S/C17H12F2N2O3/c1-23-14-9-10(5-6-12(14)18)24-15-7-8-20-17(21-15)11-3-2-4-13(22)16(11)19/h2-9,22H,1H3
InChIKeyOWRATUHJYAJDQZ-UHFFFAOYSA-N
XLogP3.93
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3724501
CID 3724501
CID 145981765
CID 145981765
CID 3233271
CID 3233271
CID 156634794
CID 156634794
CID 166628205
CID 166628205
CID 166631659
CID 166631659
CID 679767
CID 679767
CID 42582436
CID 42582436
CID 172445493
CID 172445493
CID 172455156
CID 172455156
CID 172460346
CID 172460346
CID 163582211
CID 163582211

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol (CID 163853888) is 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol is COc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F.
What is the InChIKey of 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol?
The InChIKey is OWRATUHJYAJDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-23-14-9-10(5-6-12(14)18)24-15-7-8-20-17(21-15)11-3-2-4-13(22)16(11)19/h2-9,22H,1H3.
What are the key properties of 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol?
2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol has a molecular weight of 330.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 163853888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).