methyl 3-chloro-4-ethenylbenzoate

C10H9ClO2 — CID 21360560

IUPACmethyl 3-chloro-4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC)cc1Cl
InChIInChI=1S/C10H9ClO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h3-6H,1H2,2H3
InChIKeyQCQYPMNAYANWKT-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.77
Rot. Bonds2

About methyl 3-chloro-4-ethenylbenzoate

methyl 3-chloro-4-ethenylbenzoate (PubChem CID 21360560) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is methyl 3-chloro-4-ethenylbenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-ethenylbenzoate
PubChem CID21360560
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Namemethyl 3-chloro-4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC)cc1Cl
InChIInChI=1S/C10H9ClO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h3-6H,1H2,2H3
InChIKeyQCQYPMNAYANWKT-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-ethenyl-3-methylsulfanylbenzoate
CID 163300966
methyl 4-carbamoyl-3-chlorobenzoate
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methyl 3-chloro-4-chlorosulfanylbenzoate
CID 142417308
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 3-chloro-4-methylsulfanylbenzoate
CID 6431913
methyl 3-chloro-4-(dibromomethyl)benzoate
CID 68731754
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
methyl phenazine-2-carboxylate
CID 617185
methyl 3-amino-4-[2-(2-amino-4-methoxycarbonylphenyl)ethenyl]benzoate
CID 91202728
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-ethenylbenzoate?
The IUPAC name of methyl 3-chloro-4-ethenylbenzoate (CID 21360560) is methyl 3-chloro-4-ethenylbenzoate.
What is the SMILES notation for methyl 3-chloro-4-ethenylbenzoate?
The canonical SMILES for methyl 3-chloro-4-ethenylbenzoate is C=Cc1ccc(C(=O)OC)cc1Cl.
What is the InChIKey of methyl 3-chloro-4-ethenylbenzoate?
The InChIKey is QCQYPMNAYANWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h3-6H,1H2,2H3.
What are the key properties of methyl 3-chloro-4-ethenylbenzoate?
methyl 3-chloro-4-ethenylbenzoate has a molecular weight of 196.63 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-ethenylbenzoate is sourced from PubChem (CID 21360560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).