methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate

C14H19ClO3 — CID 43351528

IUPACmethyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C14H19ClO3/c1-9(2)11-8-13(10(3)7-12(11)15)18-6-5-14(16)17-4/h7-9H,5-6H2,1-4H3
InChIKeyDMSYAOZBPNXRDF-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.71
Rot. Bonds5

About methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate

methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate (PubChem CID 43351528) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
PubChem CID43351528
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C14H19ClO3/c1-9(2)11-8-13(10(3)7-12(11)15)18-6-5-14(16)17-4/h7-9H,5-6H2,1-4H3
InChIKeyDMSYAOZBPNXRDF-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-3-methylbutan-2-amine
CID 63517874
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 76905959
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 63567788
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
CID 7893813
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066911
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498695
methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate?
The IUPAC name of methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate (CID 43351528) is methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate.
What is the SMILES notation for methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate?
The canonical SMILES for methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate is COC(=O)CCOc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate?
The InChIKey is DMSYAOZBPNXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9(2)11-8-13(10(3)7-12(11)15)18-6-5-14(16)17-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate?
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate has a molecular weight of 270.76 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate is sourced from PubChem (CID 43351528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).