methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate

C14H16O3 — CID 167708846

IUPACmethyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)cc1OC1CC1
InChIInChI=1S/C14H16O3/c1-9(2)12-7-4-10(14(15)16-3)8-13(12)17-11-5-6-11/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyZNBUMPHSUPQLRZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.05
Rot. Bonds4

About methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate

methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate (PubChem CID 167708846) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
PubChem CID167708846
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)cc1OC1CC1
InChIInChI=1S/C14H16O3/c1-9(2)12-7-4-10(14(15)16-3)8-13(12)17-11-5-6-11/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyZNBUMPHSUPQLRZ-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 3-fluoro-4-prop-1-en-2-ylbenzoate
CID 118196123
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
methyl 3-methylsulfonyl-4-prop-1-en-2-ylbenzoate
CID 11831969
methyl 4-methylsulfanyl-3-(oxan-4-yloxy)benzoate
CID 23204582
ethane;methyl 4-(3-fluorocyclobutyl)oxy-3-methoxybenzoate
CID 144795480
methyl 3-prop-1-en-2-yl-4-(trifluoromethyl)benzoate
CID 58020795
methyl 4-nitro-3-(oxan-4-yloxy)benzoate
CID 23204736
ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate
CID 171653604
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate?
The IUPAC name of methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate (CID 167708846) is methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate?
The canonical SMILES for methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate is C=C(C)c1ccc(C(=O)OC)cc1OC1CC1.
What is the InChIKey of methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate?
The InChIKey is ZNBUMPHSUPQLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9(2)12-7-4-10(14(15)16-3)8-13(12)17-11-5-6-11/h4,7-8,11H,1,5-6H2,2-3H3.
What are the key properties of methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate?
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate has a molecular weight of 232.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 167708846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).