methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate

C16H14O5 — CID 14995071

IUPACmethyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H14O5/c1-20-15(18)10-21-14-7-3-5-12(9-14)16(19)11-4-2-6-13(17)8-11/h2-9,17H,10H2,1H3
InChIKeyZWKPHTNXQMMSDV-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate

methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate (PubChem CID 14995071) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
PubChem CID14995071
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H14O5/c1-20-15(18)10-21-14-7-3-5-12(9-14)16(19)11-4-2-6-13(17)8-11/h2-9,17H,10H2,1H3
InChIKeyZWKPHTNXQMMSDV-UHFFFAOYSA-N
XLogP2.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316
methyl 2-[4-[[2-(3-carbamoylphenoxy)acetyl]amino]phenoxy]acetate
CID 55911984
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
(2S,3S)-2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119194080
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
ethane;methyl 3-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606949
[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone
CID 102370762
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate (CID 14995071) is methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate is COC(=O)COc1cccc(C(=O)c2cccc(O)c2)c1.
What is the InChIKey of methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate?
The InChIKey is ZWKPHTNXQMMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-15(18)10-21-14-7-3-5-12(9-14)16(19)11-4-2-6-13(17)8-11/h2-9,17H,10H2,1H3.
What are the key properties of methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate?
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate has a molecular weight of 286.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate is sourced from PubChem (CID 14995071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).