phenyl 3-(1-benzofuran-3-yl)propanoate

C17H14O3 — CID 175332798

IUPACphenyl 3-(1-benzofuran-3-yl)propanoate
SMILESO=C(CCc1coc2ccccc12)Oc1ccccc1
InChIInChI=1S/C17H14O3/c18-17(20-14-6-2-1-3-7-14)11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12H,10-11H2
InChIKeyQFCCKZSNIZGCHA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.97
Rot. Bonds4

About phenyl 3-(1-benzofuran-3-yl)propanoate

phenyl 3-(1-benzofuran-3-yl)propanoate (PubChem CID 175332798) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is phenyl 3-(1-benzofuran-3-yl)propanoate.

Molecular Properties

Compound Namephenyl 3-(1-benzofuran-3-yl)propanoate
PubChem CID175332798
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namephenyl 3-(1-benzofuran-3-yl)propanoate
SMILESO=C(CCc1coc2ccccc12)Oc1ccccc1
InChIInChI=1S/C17H14O3/c18-17(20-14-6-2-1-3-7-14)11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12H,10-11H2
InChIKeyQFCCKZSNIZGCHA-UHFFFAOYSA-N
XLogP3.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
CID 70464798
CID 70464798
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
phenyl butanoate
CID 20354
acetyl 2-(1-benzofuran-3-yl)acetate
CID 175154988
(E)-4-(1-benzofuran-3-yl)but-2-enoic acid
CID 116866079
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
diphenyl nonanedioate
CID 18428919
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(1-benzofuran-3-yl)propanoate?
The IUPAC name of phenyl 3-(1-benzofuran-3-yl)propanoate (CID 175332798) is phenyl 3-(1-benzofuran-3-yl)propanoate.
What is the SMILES notation for phenyl 3-(1-benzofuran-3-yl)propanoate?
The canonical SMILES for phenyl 3-(1-benzofuran-3-yl)propanoate is O=C(CCc1coc2ccccc12)Oc1ccccc1.
What is the InChIKey of phenyl 3-(1-benzofuran-3-yl)propanoate?
The InChIKey is QFCCKZSNIZGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-17(20-14-6-2-1-3-7-14)11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12H,10-11H2.
What are the key properties of phenyl 3-(1-benzofuran-3-yl)propanoate?
phenyl 3-(1-benzofuran-3-yl)propanoate has a molecular weight of 266.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(1-benzofuran-3-yl)propanoate is sourced from PubChem (CID 175332798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).