methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate

C15H22O4 — CID 117242247

IUPACmethyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C15H22O4/c1-11(2)9-12(15(16)18-4)10-19-14-7-5-13(17-3)6-8-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyUPPZVPBGADNRHM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.91
Rot. Bonds7

About methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate

methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate (PubChem CID 117242247) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
PubChem CID117242247
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C15H22O4/c1-11(2)9-12(15(16)18-4)10-19-14-7-5-13(17-3)6-8-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyUPPZVPBGADNRHM-UHFFFAOYSA-N
XLogP2.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
CID 117242245
methyl 4-methyl-2-[(3-methylphenoxy)methyl]pentanoate
CID 117242158
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
4-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentanoate
CID 117242234
propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411372

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate (CID 117242247) is methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate is COC(=O)C(COc1ccc(OC)cc1)CC(C)C.
What is the InChIKey of methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate?
The InChIKey is UPPZVPBGADNRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(2)9-12(15(16)18-4)10-19-14-7-5-13(17-3)6-8-14/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate?
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate is sourced from PubChem (CID 117242247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).