methyl 2-[4-(2-methylpropoxy)phenyl]propanoate

C14H20O3 — CID 135079153

IUPACmethyl 2-[4-(2-methylpropoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)9-17-13-7-5-12(6-8-13)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKeyOAIZRFXEYSOHIP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-[4-(2-methylpropoxy)phenyl]propanoate

methyl 2-[4-(2-methylpropoxy)phenyl]propanoate (PubChem CID 135079153) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[4-(2-methylpropoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylpropoxy)phenyl]propanoate
PubChem CID135079153
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-[4-(2-methylpropoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)9-17-13-7-5-12(6-8-13)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKeyOAIZRFXEYSOHIP-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 2-[4-(2-hydroxypropoxy)phenyl]propanoate
CID 139911211
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
methyl 2-(4-aminophenyl)propanoate
CID 3016109
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylpropoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(2-methylpropoxy)phenyl]propanoate (CID 135079153) is methyl 2-[4-(2-methylpropoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-methylpropoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(2-methylpropoxy)phenyl]propanoate is COC(=O)C(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of methyl 2-[4-(2-methylpropoxy)phenyl]propanoate?
The InChIKey is OAIZRFXEYSOHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)9-17-13-7-5-12(6-8-13)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of methyl 2-[4-(2-methylpropoxy)phenyl]propanoate?
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate 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-[4-(2-methylpropoxy)phenyl]propanoate is sourced from PubChem (CID 135079153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).