methyl 4-cyclopropyl-2-propan-2-yloxybenzoate

C14H18O3 — CID 90423653

IUPACmethyl 4-cyclopropyl-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(C2CC2)cc1OC(C)C
InChIInChI=1S/C14H18O3/c1-9(2)17-13-8-11(10-4-5-10)6-7-12(13)14(15)16-3/h6-10H,4-5H2,1-3H3
InChIKeyVDFYOQVUJUWDOR-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.14
Rot. Bonds4

About methyl 4-cyclopropyl-2-propan-2-yloxybenzoate

methyl 4-cyclopropyl-2-propan-2-yloxybenzoate (PubChem CID 90423653) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 4-cyclopropyl-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-2-propan-2-yloxybenzoate
PubChem CID90423653
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 4-cyclopropyl-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(C2CC2)cc1OC(C)C
InChIInChI=1S/C14H18O3/c1-9(2)17-13-8-11(10-4-5-10)6-7-12(13)14(15)16-3/h6-10H,4-5H2,1-3H3
InChIKeyVDFYOQVUJUWDOR-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 4-cyclopropyl-2-propan-2-yloxybenzoate (CID 90423653) is methyl 4-cyclopropyl-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 4-cyclopropyl-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 4-cyclopropyl-2-propan-2-yloxybenzoate is COC(=O)c1ccc(C2CC2)cc1OC(C)C.
What is the InChIKey of methyl 4-cyclopropyl-2-propan-2-yloxybenzoate?
The InChIKey is VDFYOQVUJUWDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)17-13-8-11(10-4-5-10)6-7-12(13)14(15)16-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 4-cyclopropyl-2-propan-2-yloxybenzoate?
methyl 4-cyclopropyl-2-propan-2-yloxybenzoate has a molecular weight of 234.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-2-propan-2-yloxybenzoate is sourced from PubChem (CID 90423653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).