(4-fluorophenyl) phenyl carbonate

C13H9FO3 — CID 555788

IUPAC(4-fluorophenyl) phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H9FO3/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h1-9H
InChIKeyHDYLFOUXBJYCLD-UHFFFAOYSA-N
MW232.21 g/mol
LogP3.40
Rot. Bonds2

About (4-fluorophenyl) phenyl carbonate

(4-fluorophenyl) phenyl carbonate (PubChem CID 555788) has the molecular formula C13H9FO3 and a molecular weight of 232.21 g/mol. Its IUPAC name is (4-fluorophenyl) phenyl carbonate.

Molecular Properties

Compound Name(4-fluorophenyl) phenyl carbonate
PubChem CID555788
Molecular FormulaC13H9FO3
Molecular Weight232.21 g/mol
Exact Mass232.05
IUPAC Name(4-fluorophenyl) phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H9FO3/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h1-9H
InChIKeyHDYLFOUXBJYCLD-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;phenyl acetate
CID 90936233
buta-1,3-diene;diphenyl carbonate
CID 87173366
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
diphenyl carbonate;ethoxyethane
CID 67230205
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
CID 162409336
CID 162409336
phenyl (4-prop-1-en-2-ylphenyl) carbonate
CID 154230592

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) phenyl carbonate?
The IUPAC name of (4-fluorophenyl) phenyl carbonate (CID 555788) is (4-fluorophenyl) phenyl carbonate.
What is the SMILES notation for (4-fluorophenyl) phenyl carbonate?
The canonical SMILES for (4-fluorophenyl) phenyl carbonate is O=C(Oc1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) phenyl carbonate?
The InChIKey is HDYLFOUXBJYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h1-9H.
What are the key properties of (4-fluorophenyl) phenyl carbonate?
(4-fluorophenyl) phenyl carbonate has a molecular weight of 232.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) phenyl carbonate is sourced from PubChem (CID 555788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).