methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate

C17H24O5 — CID 139606932

IUPACmethyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)C(C)Cc1ccccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C17H24O5/c1-12(16(19)20-5)10-13-8-6-7-9-14(13)21-11-15(18)22-17(2,3)4/h6-9,12H,10-11H2,1-5H3
InChIKeyNLQNBHKUVULNOU-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.76
Rot. Bonds6

About methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate

methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate (PubChem CID 139606932) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
PubChem CID139606932
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Namemethyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)C(C)Cc1ccccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C17H24O5/c1-12(16(19)20-5)10-13-8-6-7-9-14(13)21-11-15(18)22-17(2,3)4/h6-9,12H,10-11H2,1-5H3
InChIKeyNLQNBHKUVULNOU-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
CID 142585494
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
3-[2-(2-ethoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54848011
tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
CID 70673218
4-O-tert-butyl 1-O-methyl 2-[(2-phenylphenyl)methyl]butanedioate
CID 67208834
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
methyl 2-methyl-3-phenylpropanoate
CID 11105919
tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate
CID 58242020
tert-butyl N-[1-(2-methoxyphenyl)-3-oxopropan-2-yl]carbamate
CID 84730394

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The IUPAC name of methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate (CID 139606932) is methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate is COC(=O)C(C)Cc1ccccc1OCC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
The InChIKey is NLQNBHKUVULNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-12(16(19)20-5)10-13-8-6-7-9-14(13)21-11-15(18)22-17(2,3)4/h6-9,12H,10-11H2,1-5H3.
What are the key properties of methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate?
methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate has a molecular weight of 308.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate is sourced from PubChem (CID 139606932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).