methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate

C23H28O5 — CID 142337268

IUPACmethyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate
SMILESCOCc1cccc(C(CC(=O)OC(C)(C)C)c2ccccc2)c1C(=O)OC
InChIInChI=1S/C23H28O5/c1-23(2,3)28-20(24)14-19(16-10-7-6-8-11-16)18-13-9-12-17(15-26-4)21(18)22(25)27-5/h6-13,19H,14-15H2,1-5H3
InChIKeySAICZHKILHVRNI-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.48
Rot. Bonds7

About methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate

methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate (PubChem CID 142337268) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate
PubChem CID142337268
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Namemethyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate
SMILESCOCc1cccc(C(CC(=O)OC(C)(C)C)c2ccccc2)c1C(=O)OC
InChIInChI=1S/C23H28O5/c1-23(2,3)28-20(24)14-19(16-10-7-6-8-11-16)18-13-9-12-17(15-26-4)21(18)22(25)27-5/h6-13,19H,14-15H2,1-5H3
InChIKeySAICZHKILHVRNI-UHFFFAOYSA-N
XLogP4.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate with MolForge

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Related Compounds

tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 66107125
4-O-tert-butyl 1-O-methyl 2-[(2-phenylphenyl)methyl]butanedioate
CID 67208834
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 67209959
tert-butyl (3R,4S)-3-hydroxy-4-phenylpentanoate
CID 101129799
tert-butyl (3S)-4-oxo-3-phenylbutanoate
CID 165121865
4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 67209446
tert-butyl (3R)-3-amino-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate
CID 167312578
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
4-O-tert-butyl 1-O-methyl 2-(4-phenylmethoxyphenyl)butanedioate
CID 131723198
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate?
The IUPAC name of methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate (CID 142337268) is methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate.
What is the SMILES notation for methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate?
The canonical SMILES for methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate is COCc1cccc(C(CC(=O)OC(C)(C)C)c2ccccc2)c1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate?
The InChIKey is SAICZHKILHVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c1-23(2,3)28-20(24)14-19(16-10-7-6-8-11-16)18-13-9-12-17(15-26-4)21(18)22(25)27-5/h6-13,19H,14-15H2,1-5H3.
What are the key properties of methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate?
methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate has a molecular weight of 384.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]benzoate is sourced from PubChem (CID 142337268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).