[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate

C18H18O5 — CID 14985162

IUPAC[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H18O5/c1-13(17(19)21-2)23-18(20)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyYPNZRVSIVZTOLB-CYBMUJFWSA-N
MW314.34 g/mol
LogP2.98
Rot. Bonds6

About [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate (PubChem CID 14985162) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
PubChem CID14985162
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H18O5/c1-13(17(19)21-2)23-18(20)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyYPNZRVSIVZTOLB-CYBMUJFWSA-N
XLogP2.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
acetamido 4-phenylmethoxybenzoate
CID 174287466
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 8734898

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate (CID 14985162) is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The canonical SMILES for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate is COC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The InChIKey is YPNZRVSIVZTOLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18O5/c1-13(17(19)21-2)23-18(20)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate has a molecular weight of 314.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 14985162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).