methyl 2-(2-methoxyphenyl)-4-methylpentanoate

C14H20O3 — CID 112508329

IUPACmethyl 2-(2-methoxyphenyl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)c1ccccc1OC
InChIInChI=1S/C14H20O3/c1-10(2)9-12(14(15)17-4)11-7-5-6-8-13(11)16-3/h5-8,10,12H,9H2,1-4H3
InChIKeyJCRIZZNEUHGQOY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-(2-methoxyphenyl)-4-methylpentanoate

methyl 2-(2-methoxyphenyl)-4-methylpentanoate (PubChem CID 112508329) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-4-methylpentanoate
PubChem CID112508329
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-(2-methoxyphenyl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)c1ccccc1OC
InChIInChI=1S/C14H20O3/c1-10(2)9-12(14(15)17-4)11-7-5-6-8-13(11)16-3/h5-8,10,12H,9H2,1-4H3
InChIKeyJCRIZZNEUHGQOY-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-4-methylpentanoate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-4-methylpentanoate (CID 112508329) is methyl 2-(2-methoxyphenyl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-4-methylpentanoate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-4-methylpentanoate is COC(=O)C(CC(C)C)c1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-4-methylpentanoate?
The InChIKey is JCRIZZNEUHGQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)9-12(14(15)17-4)11-7-5-6-8-13(11)16-3/h5-8,10,12H,9H2,1-4H3.
What are the key properties of methyl 2-(2-methoxyphenyl)-4-methylpentanoate?
methyl 2-(2-methoxyphenyl)-4-methylpentanoate has a molecular weight of 236.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-4-methylpentanoate is sourced from PubChem (CID 112508329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).