methyl 5-chloro-2-cyclopropyloxybenzoate

C11H11ClO3 — CID 66846877

IUPACmethyl 5-chloro-2-cyclopropyloxybenzoate
SMILESCOC(=O)c1cc(Cl)ccc1OC1CC1
InChIInChI=1S/C11H11ClO3/c1-14-11(13)9-6-7(12)2-5-10(9)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyOTAPLWVVKBFLFP-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.67
Rot. Bonds3

About methyl 5-chloro-2-cyclopropyloxybenzoate

methyl 5-chloro-2-cyclopropyloxybenzoate (PubChem CID 66846877) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyloxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyloxybenzoate
PubChem CID66846877
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Namemethyl 5-chloro-2-cyclopropyloxybenzoate
SMILESCOC(=O)c1cc(Cl)ccc1OC1CC1
InChIInChI=1S/C11H11ClO3/c1-14-11(13)9-6-7(12)2-5-10(9)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyOTAPLWVVKBFLFP-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
methyl (2S)-2-amino-3-(5-chloro-2-cyclopropyloxyphenyl)propanoate
CID 171746443
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 2-cyclohexyloxybenzoate
CID 11345342
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropyloxybenzoate?
The IUPAC name of methyl 5-chloro-2-cyclopropyloxybenzoate (CID 66846877) is methyl 5-chloro-2-cyclopropyloxybenzoate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyloxybenzoate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyloxybenzoate is COC(=O)c1cc(Cl)ccc1OC1CC1.
What is the InChIKey of methyl 5-chloro-2-cyclopropyloxybenzoate?
The InChIKey is OTAPLWVVKBFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-14-11(13)9-6-7(12)2-5-10(9)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3.
What are the key properties of methyl 5-chloro-2-cyclopropyloxybenzoate?
methyl 5-chloro-2-cyclopropyloxybenzoate has a molecular weight of 226.66 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropyloxybenzoate is sourced from PubChem (CID 66846877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).