propan-2-yl 4-(furan-2-yl)benzoate

C14H14O3 — CID 168528785

IUPACpropan-2-yl 4-(furan-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H14O3/c1-10(2)17-14(15)12-7-5-11(6-8-12)13-4-3-9-16-13/h3-10H,1-2H3
InChIKeyUENLORMECFPICE-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.51
Rot. Bonds3

About propan-2-yl 4-(furan-2-yl)benzoate

propan-2-yl 4-(furan-2-yl)benzoate (PubChem CID 168528785) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is propan-2-yl 4-(furan-2-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(furan-2-yl)benzoate
PubChem CID168528785
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namepropan-2-yl 4-(furan-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H14O3/c1-10(2)17-14(15)12-7-5-11(6-8-12)13-4-3-9-16-13/h3-10H,1-2H3
InChIKeyUENLORMECFPICE-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 169333865
propan-2-yl 4-acetylbenzoate
CID 10878303
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(furan-2-yl)benzoate?
The IUPAC name of propan-2-yl 4-(furan-2-yl)benzoate (CID 168528785) is propan-2-yl 4-(furan-2-yl)benzoate.
What is the SMILES notation for propan-2-yl 4-(furan-2-yl)benzoate?
The canonical SMILES for propan-2-yl 4-(furan-2-yl)benzoate is CC(C)OC(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of propan-2-yl 4-(furan-2-yl)benzoate?
The InChIKey is UENLORMECFPICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10(2)17-14(15)12-7-5-11(6-8-12)13-4-3-9-16-13/h3-10H,1-2H3.
What are the key properties of propan-2-yl 4-(furan-2-yl)benzoate?
propan-2-yl 4-(furan-2-yl)benzoate has a molecular weight of 230.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(furan-2-yl)benzoate is sourced from PubChem (CID 168528785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).