(2-methyl-5-phenylfuran-3-yl) propanoate

C14H14O3 — CID 102515590

IUPAC(2-methyl-5-phenylfuran-3-yl) propanoate
SMILESCCC(=O)Oc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C14H14O3/c1-3-14(15)17-12-9-13(16-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyLLQSEXTXGKMUSP-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.57
Rot. Bonds3

About (2-methyl-5-phenylfuran-3-yl) propanoate

(2-methyl-5-phenylfuran-3-yl) propanoate (PubChem CID 102515590) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-methyl-5-phenylfuran-3-yl) propanoate.

Molecular Properties

Compound Name(2-methyl-5-phenylfuran-3-yl) propanoate
PubChem CID102515590
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2-methyl-5-phenylfuran-3-yl) propanoate
SMILESCCC(=O)Oc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C14H14O3/c1-3-14(15)17-12-9-13(16-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyLLQSEXTXGKMUSP-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate
CID 174456092
(2-phenyl-3-propan-2-ylphenyl) propanoate
CID 90033984
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
CID 67357556
[3,5-dibromo-4-[(2-phenyl-1-benzofuran-5-yl)oxy]phenyl] propanoate
CID 91414302
(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
CID 172679372
phenyl propanoate
CID 161258381
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
2-methyl-5-phenylfuran-3-amine
CID 68824327
CID 161494205
CID 161494205
[2-methyl-4-[2-(2-methylphenyl)ethynyl]phenyl] propanoate
CID 141257104
(2-propanoyloxyphenyl) 2-methylbutanoate
CID 90024366
[2-(2-methylphenyl)phenyl] propanoate
CID 145045577

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylfuran-3-yl) propanoate?
The IUPAC name of (2-methyl-5-phenylfuran-3-yl) propanoate (CID 102515590) is (2-methyl-5-phenylfuran-3-yl) propanoate.
What is the SMILES notation for (2-methyl-5-phenylfuran-3-yl) propanoate?
The canonical SMILES for (2-methyl-5-phenylfuran-3-yl) propanoate is CCC(=O)Oc1cc(-c2ccccc2)oc1C.
What is the InChIKey of (2-methyl-5-phenylfuran-3-yl) propanoate?
The InChIKey is LLQSEXTXGKMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-14(15)17-12-9-13(16-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of (2-methyl-5-phenylfuran-3-yl) propanoate?
(2-methyl-5-phenylfuran-3-yl) propanoate has a molecular weight of 230.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylfuran-3-yl) propanoate is sourced from PubChem (CID 102515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).