propan-2-yl 4-(5-formylfuran-2-yl)benzoate

C15H14O4 — CID 17274103

IUPACpropan-2-yl 4-(5-formylfuran-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H14O4/c1-10(2)18-15(17)12-5-3-11(4-6-12)14-8-7-13(9-16)19-14/h3-10H,1-2H3
InChIKeyHNFAWEOICWNLDC-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.32
Rot. Bonds4

About propan-2-yl 4-(5-formylfuran-2-yl)benzoate

propan-2-yl 4-(5-formylfuran-2-yl)benzoate (PubChem CID 17274103) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is propan-2-yl 4-(5-formylfuran-2-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(5-formylfuran-2-yl)benzoate
PubChem CID17274103
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namepropan-2-yl 4-(5-formylfuran-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H14O4/c1-10(2)18-15(17)12-5-3-11(4-6-12)14-8-7-13(9-16)19-14/h3-10H,1-2H3
InChIKeyHNFAWEOICWNLDC-UHFFFAOYSA-N
XLogP3.32
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-[4-(5-formylfuran-2-yl)phenyl]benzoate
CID 169333865
propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
CID 169332455
propan-2-yl 3-chloro-4-(5-formylfuran-2-yl)benzoate
CID 94675113
propan-2-yl 4-[5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate
CID 3120581
propan-2-yl 4-[5-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 1007579
propan-2-yl 4-[5-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 1108403
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
propan-2-yl 4-[5-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoate
CID 16761326
propan-2-yl 4-[5-[(Z)-[1-(4-methoxycarbonylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
CID 1007559
propan-2-yl 4-[5-[(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoate
CID 5433281
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(5-formylfuran-2-yl)benzoate?
The IUPAC name of propan-2-yl 4-(5-formylfuran-2-yl)benzoate (CID 17274103) is propan-2-yl 4-(5-formylfuran-2-yl)benzoate.
What is the SMILES notation for propan-2-yl 4-(5-formylfuran-2-yl)benzoate?
The canonical SMILES for propan-2-yl 4-(5-formylfuran-2-yl)benzoate is CC(C)OC(=O)c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of propan-2-yl 4-(5-formylfuran-2-yl)benzoate?
The InChIKey is HNFAWEOICWNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10(2)18-15(17)12-5-3-11(4-6-12)14-8-7-13(9-16)19-14/h3-10H,1-2H3.
What are the key properties of propan-2-yl 4-(5-formylfuran-2-yl)benzoate?
propan-2-yl 4-(5-formylfuran-2-yl)benzoate has a molecular weight of 258.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(5-formylfuran-2-yl)benzoate is sourced from PubChem (CID 17274103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).