(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate

C17H16Cl2O4 — CID 55684575

IUPAC(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate
SMILESCOc1cccc(COC(=O)C(C)Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2O4/c1-11(23-15-8-4-7-14(18)16(15)19)17(20)22-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3
InChIKeyRVIJBUYEBVUJLF-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.51
Rot. Bonds6

About (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate

(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate (PubChem CID 55684575) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate
PubChem CID55684575
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate
SMILESCOc1cccc(COC(=O)C(C)Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2O4/c1-11(23-15-8-4-7-14(18)16(15)19)17(20)22-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3
InChIKeyRVIJBUYEBVUJLF-UHFFFAOYSA-N
XLogP4.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate
CID 86964588
(3-methoxyphenyl)methyl 2-(3-cyanophenoxy)propanoate
CID 47718097
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(3-methoxyphenyl)methyl (2R)-2-amino-4-hydroxybutanoate
CID 107825319
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63841488

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate?
The IUPAC name of (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate (CID 55684575) is (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate is COc1cccc(COC(=O)C(C)Oc2cccc(Cl)c2Cl)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate?
The InChIKey is RVIJBUYEBVUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-11(23-15-8-4-7-14(18)16(15)19)17(20)22-10-12-5-3-6-13(9-12)21-2/h3-9,11H,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate?
(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate has a molecular weight of 355.22 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate is sourced from PubChem (CID 55684575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).