2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid

C19H18O3 — CID 9158963

IUPAC2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid
SMILESCC(C)(c1ccccc1)c1ccc2occ(CC(=O)O)c2c1
InChIInChI=1S/C19H18O3/c1-19(2,14-6-4-3-5-7-14)15-8-9-17-16(11-15)13(12-22-17)10-18(20)21/h3-9,11-12H,10H2,1-2H3,(H,20,21)
InChIKeySVBOVPBPDKQEAX-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.39
Rot. Bonds4

About 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid

2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid (PubChem CID 9158963) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid
PubChem CID9158963
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid
SMILESCC(C)(c1ccccc1)c1ccc2occ(CC(=O)O)c2c1
InChIInChI=1S/C19H18O3/c1-19(2,14-6-4-3-5-7-14)15-8-9-17-16(11-15)13(12-22-17)10-18(20)21/h3-9,11-12H,10H2,1-2H3,(H,20,21)
InChIKeySVBOVPBPDKQEAX-UHFFFAOYSA-N
XLogP4.39
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1,1-diphenylpropan-1-ol;2-(6-hydroxy-1-benzofuran-3-yl)acetic acid
CID 86706788
N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
CID 23833458
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
CID 18861301
1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
CID 167542802
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid
CID 141014221
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18860548
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid (CID 9158963) is 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid is CC(C)(c1ccccc1)c1ccc2occ(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid?
The InChIKey is SVBOVPBPDKQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-19(2,14-6-4-3-5-7-14)15-8-9-17-16(11-15)13(12-22-17)10-18(20)21/h3-9,11-12H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid?
2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 9158963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).