methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate

C17H18O4 — CID 15766824

IUPACmethyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-17(15(18)16(19)20-2,13-9-5-3-6-10-13)21-14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyXXRIHIOVKDEJPJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate

methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate (PubChem CID 15766824) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
PubChem CID15766824
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-17(15(18)16(19)20-2,13-9-5-3-6-10-13)21-14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyXXRIHIOVKDEJPJ-UHFFFAOYSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-bromophenoxy)-2-hydroxy-3-phenylbutanoate
CID 15292297
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
(1-methoxy-3-methyl-1-oxo-3-phenylbutan-2-yl)phosphonic acid
CID 57196797
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
methyl 2-chloro-2-phenoxypropanoate
CID 21294963
2,3-dihydroxy-2-phenoxybutanoic acid
CID 154366652
methyl 3-(4-bromophenyl)-2,4-dihydroxy-3-phenylbutanoate
CID 70277013
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate?
The IUPAC name of methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate (CID 15766824) is methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate?
The canonical SMILES for methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate is COC(=O)C(O)C(C)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate?
The InChIKey is XXRIHIOVKDEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(15(18)16(19)20-2,13-9-5-3-6-10-13)21-14-11-7-4-8-12-14/h3-12,15,18H,1-2H3.
What are the key properties of methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate?
methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate has a molecular weight of 286.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate is sourced from PubChem (CID 15766824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).