(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate

C21H16O6 — CID 102274575

IUPAC(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate
SMILESCc1cc(OC(=O)Oc2ccccc2)ccc1OC(=O)Oc1ccccc1
InChIInChI=1S/C21H16O6/c1-15-14-18(26-20(22)24-16-8-4-2-5-9-16)12-13-19(15)27-21(23)25-17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyMSXSKQFRJVGCKP-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds4

About (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate

(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate (PubChem CID 102274575) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate.

Molecular Properties

Compound Name(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate
PubChem CID102274575
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate
SMILESCc1cc(OC(=O)Oc2ccccc2)ccc1OC(=O)Oc1ccccc1
InChIInChI=1S/C21H16O6/c1-15-14-18(26-20(22)24-16-8-4-2-5-9-16)12-13-19(15)27-21(23)25-17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyMSXSKQFRJVGCKP-UHFFFAOYSA-N
XLogP5.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
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-[4-(4-hydroxy-3-methylphenyl)-2-methylphenoxy]carbonyloxy-3-methylphenyl]-2-methylphenyl] phenyl carbonate
CID 146436476
diphenyl carbonate;phenyl acetate
CID 90936233
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
diphenyl carbonate;ethane;molecular iodine
CID 159087497
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
2-O-(4-fluoro-3-methylphenyl) 1-O-phenyl oxalate
CID 118592918
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(4-tert-butyl-2,6-dimethylphenyl) phenyl carbonate;ethane
CID 91381776
(4-fluorophenyl) phenyl carbonate
CID 555788
[3-methyl-4-[[4-[(2-methyl-4-phenoxycarbonyloxyphenyl)diazenyl]phenyl]diazenyl]phenyl] benzoate
CID 88760354
bis(4-ethyl-3-methylphenyl) carbonate
CID 89437335
(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
CID 54293633

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate?
The IUPAC name of (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate (CID 102274575) is (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate.
What is the SMILES notation for (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate?
The canonical SMILES for (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate is Cc1cc(OC(=O)Oc2ccccc2)ccc1OC(=O)Oc1ccccc1.
What is the InChIKey of (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate?
The InChIKey is MSXSKQFRJVGCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O6/c1-15-14-18(26-20(22)24-16-8-4-2-5-9-16)12-13-19(15)27-21(23)25-17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate?
(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate has a molecular weight of 364.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate is sourced from PubChem (CID 102274575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).