(4-chloro-3-methylphenyl) ethenyl carbonate

C10H9ClO3 — CID 118592906

IUPAC(4-chloro-3-methylphenyl) ethenyl carbonate
SMILESC=COC(=O)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C10H9ClO3/c1-3-13-10(12)14-8-4-5-9(11)7(2)6-8/h3-6H,1H2,2H3
InChIKeyBXWJGSXMIRDJLQ-UHFFFAOYSA-N
MW212.63 g/mol
LogP3.31
Rot. Bonds2

About (4-chloro-3-methylphenyl) ethenyl carbonate

(4-chloro-3-methylphenyl) ethenyl carbonate (PubChem CID 118592906) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl) ethenyl carbonate.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl) ethenyl carbonate
PubChem CID118592906
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name(4-chloro-3-methylphenyl) ethenyl carbonate
SMILESC=COC(=O)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C10H9ClO3/c1-3-13-10(12)14-8-4-5-9(11)7(2)6-8/h3-6H,1H2,2H3
InChIKeyBXWJGSXMIRDJLQ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl) ethenyl carbonate?
The IUPAC name of (4-chloro-3-methylphenyl) ethenyl carbonate (CID 118592906) is (4-chloro-3-methylphenyl) ethenyl carbonate.
What is the SMILES notation for (4-chloro-3-methylphenyl) ethenyl carbonate?
The canonical SMILES for (4-chloro-3-methylphenyl) ethenyl carbonate is C=COC(=O)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenyl) ethenyl carbonate?
The InChIKey is BXWJGSXMIRDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-3-13-10(12)14-8-4-5-9(11)7(2)6-8/h3-6H,1H2,2H3.
What are the key properties of (4-chloro-3-methylphenyl) ethenyl carbonate?
(4-chloro-3-methylphenyl) ethenyl carbonate has a molecular weight of 212.63 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl) ethenyl carbonate is sourced from PubChem (CID 118592906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).