methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate

C12H15ClO3 — CID 116927426

IUPACmethyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H15ClO3/c1-8-6-11(15-2)10(13)7-9(8)4-5-12(14)16-3/h6-7H,4-5H2,1-3H3
InChIKeyVFSGKBKIYHZBHK-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.76
Rot. Bonds4

About methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate

methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate (PubChem CID 116927426) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
PubChem CID116927426
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Namemethyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C12H15ClO3/c1-8-6-11(15-2)10(13)7-9(8)4-5-12(14)16-3/h6-7H,4-5H2,1-3H3
InChIKeyVFSGKBKIYHZBHK-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
CID 116846356
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate?
The IUPAC name of methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate (CID 116927426) is methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate is COC(=O)CCc1cc(Cl)c(OC)cc1C.
What is the InChIKey of methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate?
The InChIKey is VFSGKBKIYHZBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8-6-11(15-2)10(13)7-9(8)4-5-12(14)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate?
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate has a molecular weight of 242.70 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate is sourced from PubChem (CID 116927426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).