methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate

C16H15ClO4 — CID 117245260

IUPACmethyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C16H15ClO4/c1-20-16(19)15(11-5-7-13(18)8-6-11)10-21-14-4-2-3-12(17)9-14/h2-9,15,18H,10H2,1H3
InChIKeyUGZMSMDBACCPAG-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.38
Rot. Bonds5

About methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate

methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate (PubChem CID 117245260) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
PubChem CID117245260
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Namemethyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C16H15ClO4/c1-20-16(19)15(11-5-7-13(18)8-6-11)10-21-14-4-2-3-12(17)9-14/h2-9,15,18H,10H2,1H3
InChIKeyUGZMSMDBACCPAG-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 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
CID 117239760

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate (CID 117245260) is methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate is COC(=O)C(COc1cccc(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate?
The InChIKey is UGZMSMDBACCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-16(19)15(11-5-7-13(18)8-6-11)10-21-14-4-2-3-12(17)9-14/h2-9,15,18H,10H2,1H3.
What are the key properties of methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate?
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)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 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 117245260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).