methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate

C14H19ClO3 — CID 82552820

IUPACmethyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C14H19ClO3/c1-9(2)12-8-11(15)7-10(14(12)18-4)5-6-13(16)17-3/h7-9H,5-6H2,1-4H3
InChIKeyGRUDAFLSIIIDFZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.58
Rot. Bonds5

About methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate

methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate (PubChem CID 82552820) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
PubChem CID82552820
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C14H19ClO3/c1-9(2)12-8-11(15)7-10(14(12)18-4)5-6-13(16)17-3/h7-9H,5-6H2,1-4H3
InChIKeyGRUDAFLSIIIDFZ-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl thiocyanate
CID 112719246
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
CID 14401625
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
CID 83938771

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate?
The IUPAC name of methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate (CID 82552820) is methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate.
What is the SMILES notation for methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate?
The canonical SMILES for methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate is COC(=O)CCc1cc(Cl)cc(C(C)C)c1OC.
What is the InChIKey of methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate?
The InChIKey is GRUDAFLSIIIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9(2)12-8-11(15)7-10(14(12)18-4)5-6-13(16)17-3/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate?
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate has a molecular weight of 270.76 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 82552820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).