5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid

C20H17ClO4 — CID 15604735

IUPAC5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cc(Cl)ccc2OCCc2ccccc2)o1
InChIInChI=1S/C20H17ClO4/c21-16-6-8-18(24-11-10-14-4-2-1-3-5-14)15(12-16)13-17-7-9-19(25-17)20(22)23/h1-9,12H,10-11,13H2,(H,22,23)
InChIKeyYLUMCFYIIDICFY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.84
Rot. Bonds7

About 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid

5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid (PubChem CID 15604735) has the molecular formula C20H17ClO4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
PubChem CID15604735
Molecular FormulaC20H17ClO4
Molecular Weight356.81 g/mol
Exact Mass356.08
IUPAC Name5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cc(Cl)ccc2OCCc2ccccc2)o1
InChIInChI=1S/C20H17ClO4/c21-16-6-8-18(24-11-10-14-4-2-1-3-5-14)15(12-16)13-17-7-9-19(25-17)20(22)23/h1-9,12H,10-11,13H2,(H,22,23)
InChIKeyYLUMCFYIIDICFY-UHFFFAOYSA-N
XLogP4.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
5-[(4-chloro-2-methylphenyl)methyl]furan-2-carboxylic acid
CID 21387705
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
N-(2-bromophenyl)-5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-carboxamide
CID 71051921
4-[[5-chloro-2-(2-phenylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20988918
sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 59845812

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid (CID 15604735) is 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cc2cc(Cl)ccc2OCCc2ccccc2)o1.
What is the InChIKey of 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid?
The InChIKey is YLUMCFYIIDICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO4/c21-16-6-8-18(24-11-10-14-4-2-1-3-5-14)15(12-16)13-17-7-9-19(25-17)20(22)23/h1-9,12H,10-11,13H2,(H,22,23).
What are the key properties of 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid?
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 15604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).