ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate

C19H20O3 — CID 142218011

IUPACethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2cc(OC)cc(C3CC3)c2)c1
InChIInChI=1S/C19H20O3/c1-3-22-19(20)15-6-4-5-14(9-15)17-10-16(13-7-8-13)11-18(12-17)21-2/h4-6,9-13H,3,7-8H2,1-2H3
InChIKeyIVVKEJQDROTZAB-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.42
Rot. Bonds5

About ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate

ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate (PubChem CID 142218011) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate
PubChem CID142218011
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2cc(OC)cc(C3CC3)c2)c1
InChIInChI=1S/C19H20O3/c1-3-22-19(20)15-6-4-5-14(9-15)17-10-16(13-7-8-13)11-18(12-17)21-2/h4-6,9-13H,3,7-8H2,1-2H3
InChIKeyIVVKEJQDROTZAB-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate?
The IUPAC name of ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate (CID 142218011) is ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate.
What is the SMILES notation for ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate?
The canonical SMILES for ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate is CCOC(=O)c1cccc(-c2cc(OC)cc(C3CC3)c2)c1.
What is the InChIKey of ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate?
The InChIKey is IVVKEJQDROTZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-22-19(20)15-6-4-5-14(9-15)17-10-16(13-7-8-13)11-18(12-17)21-2/h4-6,9-13H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate?
ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate has a molecular weight of 296.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopropyl-5-methoxyphenyl)benzoate is sourced from PubChem (CID 142218011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).