methyl 4-methoxycarbonyloxybenzoate

C10H10O5 — CID 584598

IUPACmethyl 4-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O5/c1-13-9(11)7-3-5-8(6-4-7)15-10(12)14-2/h3-6H,1-2H3
InChIKeyXDDBMNQUNQHNNS-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.62
Rot. Bonds2

About methyl 4-methoxycarbonyloxybenzoate

methyl 4-methoxycarbonyloxybenzoate (PubChem CID 584598) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 4-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-methoxycarbonyloxybenzoate
PubChem CID584598
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Namemethyl 4-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O5/c1-13-9(11)7-3-5-8(6-4-7)15-10(12)14-2/h3-6H,1-2H3
InChIKeyXDDBMNQUNQHNNS-UHFFFAOYSA-N
XLogP1.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-methoxycarbonyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
4-(4-methoxycarbonyloxyphenyl)benzoic acid
CID 18328408
methyl 4-prop-2-enoyloxybenzoate
CID 18402609

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxycarbonyloxybenzoate?
The IUPAC name of methyl 4-methoxycarbonyloxybenzoate (CID 584598) is methyl 4-methoxycarbonyloxybenzoate.
What is the SMILES notation for methyl 4-methoxycarbonyloxybenzoate?
The canonical SMILES for methyl 4-methoxycarbonyloxybenzoate is COC(=O)Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-methoxycarbonyloxybenzoate?
The InChIKey is XDDBMNQUNQHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-13-9(11)7-3-5-8(6-4-7)15-10(12)14-2/h3-6H,1-2H3.
What are the key properties of methyl 4-methoxycarbonyloxybenzoate?
methyl 4-methoxycarbonyloxybenzoate has a molecular weight of 210.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxycarbonyloxybenzoate is sourced from PubChem (CID 584598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).