bis(3,5-dichlorophenyl) carbonate

C13H6Cl4O3 — CID 139771619

IUPACbis(3,5-dichlorophenyl) carbonate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl4O3/c14-7-1-8(15)4-11(3-7)19-13(18)20-12-5-9(16)2-10(17)6-12/h1-6H
InChIKeyDWEILGUNOVHTBK-UHFFFAOYSA-N
MW352.00 g/mol
LogP5.88
Rot. Bonds2

About bis(3,5-dichlorophenyl) carbonate

bis(3,5-dichlorophenyl) carbonate (PubChem CID 139771619) has the molecular formula C13H6Cl4O3 and a molecular weight of 352.00 g/mol. Its IUPAC name is bis(3,5-dichlorophenyl) carbonate.

Molecular Properties

Compound Namebis(3,5-dichlorophenyl) carbonate
PubChem CID139771619
Molecular FormulaC13H6Cl4O3
Molecular Weight352.00 g/mol
Exact Mass349.91
IUPAC Namebis(3,5-dichlorophenyl) carbonate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H6Cl4O3/c14-7-1-8(15)4-11(3-7)19-13(18)20-12-5-9(16)2-10(17)6-12/h1-6H
InChIKeyDWEILGUNOVHTBK-UHFFFAOYSA-N
XLogP5.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.00
LogP ≤ 55.88
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

(3,5-dichlorophenyl) 2,2,2-trifluoroacetate
CID 91695317
(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
CID 54435350
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(3,5-dichlorophenyl) 2-hydroxybenzoate
CID 157309463
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146461997
(3,5-dichlorophenyl) 2-methyl-3-(methylamino)propanoate
CID 174966426
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
(3,5-dichlorophenyl) hydrogen sulfite
CID 67303764
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
(3-chloro-5-methylphenyl) 2-sulfanylacetate
CID 88721452

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dichlorophenyl) carbonate?
The IUPAC name of bis(3,5-dichlorophenyl) carbonate (CID 139771619) is bis(3,5-dichlorophenyl) carbonate.
What is the SMILES notation for bis(3,5-dichlorophenyl) carbonate?
The canonical SMILES for bis(3,5-dichlorophenyl) carbonate is O=C(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of bis(3,5-dichlorophenyl) carbonate?
The InChIKey is DWEILGUNOVHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O3/c14-7-1-8(15)4-11(3-7)19-13(18)20-12-5-9(16)2-10(17)6-12/h1-6H.
What are the key properties of bis(3,5-dichlorophenyl) carbonate?
bis(3,5-dichlorophenyl) carbonate has a molecular weight of 352.00 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dichlorophenyl) carbonate is sourced from PubChem (CID 139771619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).