[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium

C14H13ClNO3+ — CID 140708042

IUPAC[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium
SMILES[NH3+]Cc1ccc(OC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3/c15-12-3-1-2-4-13(12)19-14(17)18-11-7-5-10(9-16)6-8-11/h1-8H,9,16H2/p+1
InChIKeyCABHZWPDYBLXPJ-UHFFFAOYSA-O
MW278.72 g/mol
LogP2.66
Rot. Bonds3

About [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium

[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium (PubChem CID 140708042) has the molecular formula C14H13ClNO3+ and a molecular weight of 278.72 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium
PubChem CID140708042
Molecular FormulaC14H13ClNO3+
Molecular Weight278.72 g/mol
Exact Mass278.06
IUPAC Name[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium
SMILES[NH3+]Cc1ccc(OC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3/c15-12-3-1-2-4-13(12)19-14(17)18-11-7-5-10(9-16)6-8-11/h1-8H,9,16H2/p+1
InChIKeyCABHZWPDYBLXPJ-UHFFFAOYSA-O
XLogP2.66
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) (4-nonylphenyl) carbonate
CID 22994736
(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate
CID 21467853
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
(4-aminophenyl) 4-[4-(2-chlorophenoxy)carbonylphenyl]benzoate
CID 68529693
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium?
The IUPAC name of [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium (CID 140708042) is [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium.
What is the SMILES notation for [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium?
The canonical SMILES for [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium is [NH3+]Cc1ccc(OC(=O)Oc2ccccc2Cl)cc1.
What is the InChIKey of [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium?
The InChIKey is CABHZWPDYBLXPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12ClNO3/c15-12-3-1-2-4-13(12)19-14(17)18-11-7-5-10(9-16)6-8-11/h1-8H,9,16H2/p+1.
What are the key properties of [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium?
[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium has a molecular weight of 278.72 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium is sourced from PubChem (CID 140708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).