5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate

C18H12O6-2 — CID 6923552

IUPAC5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
SMILESC[C@@H](Oc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1)C(=O)[O-]
InChIInChI=1S/C18H14O6/c1-10(17(19)20)23-12-7-8-14-13(9-12)15(18(21)22)16(24-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H,21,22)/p-2/t10-/m1/s1
InChIKeyRBZWDICAXJFHSY-SNVBAGLBSA-L
MW324.29 g/mol
LogP0.98
Rot. Bonds5

About 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate

5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 6923552) has the molecular formula C18H12O6-2 and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Name5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID6923552
Molecular FormulaC18H12O6-2
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
SMILESC[C@@H](Oc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1)C(=O)[O-]
InChIInChI=1S/C18H14O6/c1-10(17(19)20)23-12-7-8-14-13(9-12)15(18(21)22)16(24-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H,21,22)/p-2/t10-/m1/s1
InChIKeyRBZWDICAXJFHSY-SNVBAGLBSA-L
XLogP0.98
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
CID 7575311
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate
CID 7072246
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
5-[(R)-carboxy(phenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 801057
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 6920592
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
ethyl 2-phenyl-5-(2-sulfanylethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539662

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate (CID 6923552) is 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate is C[C@@H](Oc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1)C(=O)[O-].
What is the InChIKey of 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is RBZWDICAXJFHSY-SNVBAGLBSA-L. The full InChI is InChI=1S/C18H14O6/c1-10(17(19)20)23-12-7-8-14-13(9-12)15(18(21)22)16(24-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H,21,22)/p-2/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate?
5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 324.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 6923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).