(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one

C20H17ClN2O4 — CID 175442955

IUPAC(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
SMILESO=C(c1ccc(Cl)c(Cc2ccc(Oc3ncccn3)cc2)c1)[C@H](O)CO
InChIInChI=1S/C20H17ClN2O4/c21-17-7-4-14(19(26)18(25)12-24)11-15(17)10-13-2-5-16(6-3-13)27-20-22-8-1-9-23-20/h1-9,11,18,24-25H,10,12H2/t18-/m1/s1
InChIKeyUKWXDVVGGDIUIZ-GOSISDBHSA-N
MW384.82 g/mol
LogP3.05
Rot. Bonds7

About (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one

(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one (PubChem CID 175442955) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
PubChem CID175442955
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
SMILESO=C(c1ccc(Cl)c(Cc2ccc(Oc3ncccn3)cc2)c1)[C@H](O)CO
InChIInChI=1S/C20H17ClN2O4/c21-17-7-4-14(19(26)18(25)12-24)11-15(17)10-13-2-5-16(6-3-13)27-20-22-8-1-9-23-20/h1-9,11,18,24-25H,10,12H2/t18-/m1/s1
InChIKeyUKWXDVVGGDIUIZ-GOSISDBHSA-N
XLogP3.05
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one 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

1-[4-chloro-3-[(4-phenylmethoxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one
CID 175442938
(2R,3S,4R,5R)-1-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4,5,6-pentahydroxyhexan-1-one
CID 126673820
(2R,3S,4S)-1-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-hydroxy-2,3,4-tris(phenylmethoxy)hexane-1,5-dione
CID 175306498
2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
CID 170860743
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
2-[4-(2-fluoroprop-2-enyl)phenoxy]pyrimidine
CID 91288033
3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
CID 54511340
6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1,3,4,5,6-pentahydroxyhexan-2-one
CID 169451490
(4R,5R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 163202917
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
CID 59557784
2-[6-(2-chloro-4-pyrimidin-2-yloxyphenoxy)naphthalen-2-yl]acetaldehyde
CID 87565351

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one (CID 175442955) is (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one is O=C(c1ccc(Cl)c(Cc2ccc(Oc3ncccn3)cc2)c1)[C@H](O)CO.
What is the InChIKey of (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one?
The InChIKey is UKWXDVVGGDIUIZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-17-7-4-14(19(26)18(25)12-24)11-15(17)10-13-2-5-16(6-3-13)27-20-22-8-1-9-23-20/h1-9,11,18,24-25H,10,12H2/t18-/m1/s1.
What are the key properties of (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one?
(2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one has a molecular weight of 384.82 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-chloro-3-[(4-pyrimidin-2-yloxyphenyl)methyl]phenyl]-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 175442955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).