methyl (4-phenoxyphenyl) carbonate

C14H12O4 — CID 19704468

IUPACmethyl (4-phenoxyphenyl) carbonate
SMILESCOC(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O4/c1-16-14(15)18-13-9-7-12(8-10-13)17-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyGHGXVCDBNIJKGT-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.62
Rot. Bonds3

About methyl (4-phenoxyphenyl) carbonate

methyl (4-phenoxyphenyl) carbonate (PubChem CID 19704468) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl (4-phenoxyphenyl) carbonate.

Molecular Properties

Compound Namemethyl (4-phenoxyphenyl) carbonate
PubChem CID19704468
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl (4-phenoxyphenyl) carbonate
SMILESCOC(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O4/c1-16-14(15)18-13-9-7-12(8-10-13)17-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyGHGXVCDBNIJKGT-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
phenoxybenzene;phenyl acetate
CID 159251324
dibenzofuran;methyl phenyl carbonate
CID 158446922
phenyl (2S)-2-methoxypropanoate
CID 12621314
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
diphenyl carbonate;ethane;molecular iodine
CID 159087497

Frequently Asked Questions

What is the IUPAC name of methyl (4-phenoxyphenyl) carbonate?
The IUPAC name of methyl (4-phenoxyphenyl) carbonate (CID 19704468) is methyl (4-phenoxyphenyl) carbonate.
What is the SMILES notation for methyl (4-phenoxyphenyl) carbonate?
The canonical SMILES for methyl (4-phenoxyphenyl) carbonate is COC(=O)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl (4-phenoxyphenyl) carbonate?
The InChIKey is GHGXVCDBNIJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-16-14(15)18-13-9-7-12(8-10-13)17-11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of methyl (4-phenoxyphenyl) carbonate?
methyl (4-phenoxyphenyl) carbonate has a molecular weight of 244.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4-phenoxyphenyl) carbonate is sourced from PubChem (CID 19704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).