methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate

C16H15ClO4 — CID 117244378

IUPACmethyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(O)c1)c1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-20-16(19)14(13-7-2-3-8-15(13)17)10-21-12-6-4-5-11(18)9-12/h2-9,14,18H,10H2,1H3
InChIKeyCGFVBDACLXPMAD-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.38
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate

methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate (PubChem CID 117244378) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
PubChem CID117244378
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(O)c1)c1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-20-16(19)14(13-7-2-3-8-15(13)17)10-21-12-6-4-5-11(18)9-12/h2-9,14,18H,10H2,1H3
InChIKeyCGFVBDACLXPMAD-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241060
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
methyl 2-[(3-hydroxyphenoxy)methyl]pentanoate
CID 117242190
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate?
The IUPAC name of methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate (CID 117244378) is methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate is COC(=O)C(COc1cccc(O)c1)c1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate?
The InChIKey is CGFVBDACLXPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-16(19)14(13-7-2-3-8-15(13)17)10-21-12-6-4-5-11(18)9-12/h2-9,14,18H,10H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate?
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate has a molecular weight of 306.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate is sourced from PubChem (CID 117244378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).