(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate

C14H10O4 — CID 888865

IUPAC(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
SMILESO=Cc1ccccc1OC(=O)C=Cc1ccco1
InChIInChI=1S/C14H10O4/c15-10-11-4-1-2-6-13(11)18-14(16)8-7-12-5-3-9-17-12/h1-10H
InChIKeyPLRFGVLSHNUHHJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.71
Rot. Bonds4

About (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate

(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate (PubChem CID 888865) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
PubChem CID888865
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
SMILESO=Cc1ccccc1OC(=O)C=Cc1ccco1
InChIInChI=1S/C14H10O4/c15-10-11-4-1-2-6-13(11)18-14(16)8-7-12-5-3-9-17-12/h1-10H
InChIKeyPLRFGVLSHNUHHJ-UHFFFAOYSA-N
XLogP2.71
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 2397583
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576
[2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7718933
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 8840269
(2-bromo-4-propan-2-ylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 3310676
(4-nitrophenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 7005052
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate (CID 888865) is (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate is O=Cc1ccccc1OC(=O)C=Cc1ccco1.
What is the InChIKey of (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate?
The InChIKey is PLRFGVLSHNUHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-10-11-4-1-2-6-13(11)18-14(16)8-7-12-5-3-9-17-12/h1-10H.
What are the key properties of (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate?
(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate has a molecular weight of 242.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl) 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 888865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).