methyl 3-(3-chlorophenoxy)propanoate

C10H11ClO3 — CID 28940074

IUPACmethyl 3-(3-chlorophenoxy)propanoate
SMILESCOC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeyBSZDLUZONURGLO-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.28
Rot. Bonds4

About methyl 3-(3-chlorophenoxy)propanoate

methyl 3-(3-chlorophenoxy)propanoate (PubChem CID 28940074) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 3-(3-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenoxy)propanoate
PubChem CID28940074
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 3-(3-chlorophenoxy)propanoate
SMILESCOC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeyBSZDLUZONURGLO-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
CID 131885829
CID 131885829
3-(3-chlorophenoxy)propanamide
CID 23512799
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55668550
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781822
methyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenoxy]butanoate
CID 123685242
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenoxy)propanoate?
The IUPAC name of methyl 3-(3-chlorophenoxy)propanoate (CID 28940074) is methyl 3-(3-chlorophenoxy)propanoate.
What is the SMILES notation for methyl 3-(3-chlorophenoxy)propanoate?
The canonical SMILES for methyl 3-(3-chlorophenoxy)propanoate is COC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of methyl 3-(3-chlorophenoxy)propanoate?
The InChIKey is BSZDLUZONURGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 3-(3-chlorophenoxy)propanoate?
methyl 3-(3-chlorophenoxy)propanoate has a molecular weight of 214.65 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenoxy)propanoate is sourced from PubChem (CID 28940074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).