[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate

C26H18O6 — CID 143295310

IUPAC[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(-c2ccc(OC(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H18O6/c27-25(29-21-7-3-1-4-8-21)31-23-15-11-19(12-16-23)20-13-17-24(18-14-20)32-26(28)30-22-9-5-2-6-10-22/h1-18H
InChIKeyYYRRYABBYJXWCX-UHFFFAOYSA-N
MW426.42 g/mol
LogP6.51
Rot. Bonds5

About [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate

[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate (PubChem CID 143295310) has the molecular formula C26H18O6 and a molecular weight of 426.42 g/mol. Its IUPAC name is [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate.

Molecular Properties

Compound Name[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
PubChem CID143295310
Molecular FormulaC26H18O6
Molecular Weight426.42 g/mol
Exact Mass426.11
IUPAC Name[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(-c2ccc(OC(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H18O6/c27-25(29-21-7-3-1-4-8-21)31-23-15-11-19(12-16-23)20-13-17-24(18-14-20)32-26(28)30-22-9-5-2-6-10-22/h1-18H
InChIKeyYYRRYABBYJXWCX-UHFFFAOYSA-N
XLogP6.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
(4-fluorophenyl) phenyl carbonate
CID 555788
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;phenyl acetate
CID 90936233
buta-1,3-diene;diphenyl carbonate
CID 87173366
(4-phenylphenyl) prop-1-en-2-yl carbonate
CID 167089525
diphenyl carbonate;ethoxyethane
CID 67230205
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
phenyl (4-prop-1-en-2-ylphenyl) carbonate
CID 154230592
dimethyl carbonate;methyl phenyl carbonate
CID 70311897

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate?
The IUPAC name of [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate (CID 143295310) is [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate.
What is the SMILES notation for [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate?
The canonical SMILES for [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate is O=C(Oc1ccccc1)Oc1ccc(-c2ccc(OC(=O)Oc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate?
The InChIKey is YYRRYABBYJXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O6/c27-25(29-21-7-3-1-4-8-21)31-23-15-11-19(12-16-23)20-13-17-24(18-14-20)32-26(28)30-22-9-5-2-6-10-22/h1-18H.
What are the key properties of [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate?
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate has a molecular weight of 426.42 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate is sourced from PubChem (CID 143295310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).