methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate

C15H12O6 — CID 69027946

IUPACmethyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)Oc1ccccc1O
InChIInChI=1S/C15H12O6/c1-19-14(17)10-6-2-4-8-12(10)20-15(18)21-13-9-5-3-7-11(13)16/h2-9,16H,1H3
InChIKeyHBQILYXBGFVLFF-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.76
Rot. Bonds3

About methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate

methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate (PubChem CID 69027946) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
PubChem CID69027946
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Namemethyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)Oc1ccccc1O
InChIInChI=1S/C15H12O6/c1-19-14(17)10-6-2-4-8-12(10)20-15(18)21-13-9-5-3-7-11(13)16/h2-9,16H,1H3
InChIKeyHBQILYXBGFVLFF-UHFFFAOYSA-N
XLogP2.76
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
methyl 2-(2-butylphenoxy)carbonyloxybenzoate
CID 22994750
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
CID 69490317
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2-hexadecylphenoxy)carbonyloxybenzoate
CID 22994794
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate?
The IUPAC name of methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate (CID 69027946) is methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate.
What is the SMILES notation for methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate?
The canonical SMILES for methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate is COC(=O)c1ccccc1OC(=O)Oc1ccccc1O.
What is the InChIKey of methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate?
The InChIKey is HBQILYXBGFVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-19-14(17)10-6-2-4-8-12(10)20-15(18)21-13-9-5-3-7-11(13)16/h2-9,16H,1H3.
What are the key properties of methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate?
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate has a molecular weight of 288.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate is sourced from PubChem (CID 69027946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).