(2-methylphenyl) 2-methoxycarbonyloxybenzoate

C16H14O5 — CID 69024261

IUPAC(2-methylphenyl) 2-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccccc1C(=O)Oc1ccccc1C
InChIInChI=1S/C16H14O5/c1-11-7-3-5-9-13(11)20-15(17)12-8-4-6-10-14(12)21-16(18)19-2/h3-10H,1-2H3
InChIKeyWAEIIMNCRCYIAF-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.36
Rot. Bonds3

About (2-methylphenyl) 2-methoxycarbonyloxybenzoate

(2-methylphenyl) 2-methoxycarbonyloxybenzoate (PubChem CID 69024261) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2-methylphenyl) 2-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Name(2-methylphenyl) 2-methoxycarbonyloxybenzoate
PubChem CID69024261
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2-methylphenyl) 2-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccccc1C(=O)Oc1ccccc1C
InChIInChI=1S/C16H14O5/c1-11-7-3-5-9-13(11)20-15(17)12-8-4-6-10-14(12)21-16(18)19-2/h3-10H,1-2H3
InChIKeyWAEIIMNCRCYIAF-UHFFFAOYSA-N
XLogP3.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
(2-acetylphenyl) methyl carbonate
CID 14493761
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
(2-methylphenyl) 2-aminofuran-3-carboxylate
CID 117213320
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-methoxycarbonyloxybenzoate?
The IUPAC name of (2-methylphenyl) 2-methoxycarbonyloxybenzoate (CID 69024261) is (2-methylphenyl) 2-methoxycarbonyloxybenzoate.
What is the SMILES notation for (2-methylphenyl) 2-methoxycarbonyloxybenzoate?
The canonical SMILES for (2-methylphenyl) 2-methoxycarbonyloxybenzoate is COC(=O)Oc1ccccc1C(=O)Oc1ccccc1C.
What is the InChIKey of (2-methylphenyl) 2-methoxycarbonyloxybenzoate?
The InChIKey is WAEIIMNCRCYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-11-7-3-5-9-13(11)20-15(17)12-8-4-6-10-14(12)21-16(18)19-2/h3-10H,1-2H3.
What are the key properties of (2-methylphenyl) 2-methoxycarbonyloxybenzoate?
(2-methylphenyl) 2-methoxycarbonyloxybenzoate has a molecular weight of 286.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-methoxycarbonyloxybenzoate is sourced from PubChem (CID 69024261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).