(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol

C13H13FN2O2 — CID 107720035

IUPAC(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ncccn2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-9(17)11-4-3-10(7-12(11)14)18-8-13-15-5-2-6-16-13/h2-7,9,17H,8H2,1H3/t9-/m1/s1
InChIKeyOSHFXHRVLRFEHM-SECBINFHSA-N
MW248.26 g/mol
LogP2.25
Rot. Bonds4

About (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol

(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol (PubChem CID 107720035) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
PubChem CID107720035
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ncccn2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-9(17)11-4-3-10(7-12(11)14)18-8-13-15-5-2-6-16-13/h2-7,9,17H,8H2,1H3/t9-/m1/s1
InChIKeyOSHFXHRVLRFEHM-SECBINFHSA-N
XLogP2.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol 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

(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931
(1R)-1-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 107720301
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol (CID 107720035) is (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCc2ncccn2)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The InChIKey is OSHFXHRVLRFEHM-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9(17)11-4-3-10(7-12(11)14)18-8-13-15-5-2-6-16-13/h2-7,9,17H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol has a molecular weight of 248.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 107720035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).