1-(4-chlorophenyl)ethenyl methyl carbonate

C10H9ClO3 — CID 11085134

IUPAC1-(4-chlorophenyl)ethenyl methyl carbonate
SMILESC=C(OC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO3/c1-7(14-10(12)13-2)8-3-5-9(11)6-4-8/h3-6H,1H2,2H3
InChIKeyVDAONMJYGXZFTL-UHFFFAOYSA-N
MW212.63 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-chlorophenyl)ethenyl methyl carbonate

1-(4-chlorophenyl)ethenyl methyl carbonate (PubChem CID 11085134) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethenyl methyl carbonate.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethenyl methyl carbonate
PubChem CID11085134
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name1-(4-chlorophenyl)ethenyl methyl carbonate
SMILESC=C(OC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO3/c1-7(14-10(12)13-2)8-3-5-9(11)6-4-8/h3-6H,1H2,2H3
InChIKeyVDAONMJYGXZFTL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-methoxyprop-2-en-1-one
CID 18981011
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
4-chloro-N-propan-2-ylbenzamide
CID 24045
methyl 2-chloro-3-(4-chlorophenyl)-3-oxopropanoate
CID 82479665
2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
1-(4-chlorophenyl)-2-methylprop-2-en-1-one;N-methylmethanamine
CID 70493834
4-chloro-N-hydroxybenzamide
CID 587178
(4-chlorobenzoyl)-trihydroxyphosphanium
CID 56622111
2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
CID 143536672
N-acetyl-4-chlorobenzamide
CID 11735747
bis[4-[1-(4-chlorophenyl)ethenyl]phenyl] carbonate
CID 141266892
methyl 4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 11470505

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethenyl methyl carbonate?
The IUPAC name of 1-(4-chlorophenyl)ethenyl methyl carbonate (CID 11085134) is 1-(4-chlorophenyl)ethenyl methyl carbonate.
What is the SMILES notation for 1-(4-chlorophenyl)ethenyl methyl carbonate?
The canonical SMILES for 1-(4-chlorophenyl)ethenyl methyl carbonate is C=C(OC(=O)OC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethenyl methyl carbonate?
The InChIKey is VDAONMJYGXZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-7(14-10(12)13-2)8-3-5-9(11)6-4-8/h3-6H,1H2,2H3.
What are the key properties of 1-(4-chlorophenyl)ethenyl methyl carbonate?
1-(4-chlorophenyl)ethenyl methyl carbonate has a molecular weight of 212.63 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethenyl methyl carbonate is sourced from PubChem (CID 11085134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).