[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate

C16H14O7 — CID 22123751

IUPAC[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(Oc2ccc(OC(=O)OC)cc2)cc1
InChIInChI=1S/C16H14O7/c1-19-15(17)22-13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23-16(18)20-2/h3-10H,1-2H3
InChIKeyADPQMBOUYJPLNK-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.77
Rot. Bonds4

About [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate

[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate (PubChem CID 22123751) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
PubChem CID22123751
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Name[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(Oc2ccc(OC(=O)OC)cc2)cc1
InChIInChI=1S/C16H14O7/c1-19-15(17)22-13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23-16(18)20-2/h3-10H,1-2H3
InChIKeyADPQMBOUYJPLNK-UHFFFAOYSA-N
XLogP3.77
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate 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

methyl (4-phenoxyphenyl) carbonate
CID 19704468
methyl 4-methoxycarbonyloxybenzoate
CID 584598
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
4-(4-methoxycarbonyloxyphenyl)benzoic acid
CID 18328408
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
methyl (4-octylphenyl) carbonate
CID 118690298
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate?
The IUPAC name of [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate (CID 22123751) is [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate.
What is the SMILES notation for [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate?
The canonical SMILES for [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate is COC(=O)Oc1ccc(Oc2ccc(OC(=O)OC)cc2)cc1.
What is the InChIKey of [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate?
The InChIKey is ADPQMBOUYJPLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O7/c1-19-15(17)22-13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23-16(18)20-2/h3-10H,1-2H3.
What are the key properties of [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate?
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate has a molecular weight of 318.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate is sourced from PubChem (CID 22123751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).