2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid

C18H15FO3 — CID 10286274

IUPAC2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid
SMILESCCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccoc1
InChIInChI=1S/C18H15FO3/c1-2-13-15(7-11-5-6-22-10-11)14-4-3-12(19)8-16(14)17(13)9-18(20)21/h3-8,10H,2,9H2,1H3,(H,20,21)/b15-7-
InChIKeySYZJSPFCXVXDAA-CHHVJCJISA-N
MW298.31 g/mol
LogP4.61
Rot. Bonds4

About 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid

2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid (PubChem CID 10286274) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid
PubChem CID10286274
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid
SMILESCCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccoc1
InChIInChI=1S/C18H15FO3/c1-2-13-15(7-11-5-6-22-10-11)14-4-3-12(19)8-16(14)17(13)9-18(20)21/h3-8,10H,2,9H2,1H3,(H,20,21)/b15-7-
InChIKeySYZJSPFCXVXDAA-CHHVJCJISA-N
XLogP4.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-Phenylfuran-2-yl)propanoic acid
CID 593970
2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110437
4-(Fur-2-yl)benzoic acid
CID 5138791
(2E)-3-(5-Phenyl-2-furanyl)-2-propenoic acid
CID 836337
2-(2-furyl)benzoic Acid
CID 2772293
(3Z)-5-(2-methylpropyl)-3-[(5-phenylfuran-2-yl)methylidene]furan-2(3H)-one
CID 1918570
(2Z)-2-(2-furylmethylene)-1,3-dioxoindane-5-carboxylic acid
CID 741770
(E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-yl]-acrylic acid
CID 11416475
4-(Furan-3-Yl)Benzaldehyde
CID 21526045
3-Phenylfuran
CID 518802
3-(2-Isopropyl-5-methylbenzyl)furan
CID 642120
Benzeneacetic acid, 3-(2-furanylcarbonyl)-alpha-methyl-
CID 3060060

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid?
The IUPAC name of 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid (CID 10286274) is 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid?
The canonical SMILES for 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid is CCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccoc1.
What is the InChIKey of 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid?
The InChIKey is SYZJSPFCXVXDAA-CHHVJCJISA-N. The full InChI is InChI=1S/C18H15FO3/c1-2-13-15(7-11-5-6-22-10-11)14-4-3-12(19)8-16(14)17(13)9-18(20)21/h3-8,10H,2,9H2,1H3,(H,20,21)/b15-7-.
What are the key properties of 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid?
2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid has a molecular weight of 298.31 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid is sourced from PubChem (CID 10286274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).