methyl 2-chloro-6-prop-1-en-2-ylbenzoate

C11H11ClO2 — CID 129080595

IUPACmethyl 2-chloro-6-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1cccc(Cl)c1C(=O)OC
InChIInChI=1S/C11H11ClO2/c1-7(2)8-5-4-6-9(12)10(8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyWTORZQSWUYYBCH-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.16
Rot. Bonds2

About methyl 2-chloro-6-prop-1-en-2-ylbenzoate

methyl 2-chloro-6-prop-1-en-2-ylbenzoate (PubChem CID 129080595) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 2-chloro-6-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-6-prop-1-en-2-ylbenzoate
PubChem CID129080595
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Namemethyl 2-chloro-6-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1cccc(Cl)c1C(=O)OC
InChIInChI=1S/C11H11ClO2/c1-7(2)8-5-4-6-9(12)10(8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyWTORZQSWUYYBCH-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromopropanoyl)-6-chlorobenzoate
CID 134648924
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
CID 130011916
methyl 2-chloro-6-hydrazinylbenzoate
CID 67291363
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
methyl 3-chloro-2-(3-chloropropanoyl)benzoate
CID 134648946
methyl 2-chloro-6-(3-chloro-2-oxopropyl)benzoate
CID 134649062
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
methyl 2-chloro-6-(3-chloropropyl)benzoate
CID 134649012

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-prop-1-en-2-ylbenzoate?
The IUPAC name of methyl 2-chloro-6-prop-1-en-2-ylbenzoate (CID 129080595) is methyl 2-chloro-6-prop-1-en-2-ylbenzoate.
What is the SMILES notation for methyl 2-chloro-6-prop-1-en-2-ylbenzoate?
The canonical SMILES for methyl 2-chloro-6-prop-1-en-2-ylbenzoate is C=C(C)c1cccc(Cl)c1C(=O)OC.
What is the InChIKey of methyl 2-chloro-6-prop-1-en-2-ylbenzoate?
The InChIKey is WTORZQSWUYYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(2)8-5-4-6-9(12)10(8)11(13)14-3/h4-6H,1H2,2-3H3.
What are the key properties of methyl 2-chloro-6-prop-1-en-2-ylbenzoate?
methyl 2-chloro-6-prop-1-en-2-ylbenzoate has a molecular weight of 210.66 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 129080595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).