5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid

C14H14O4 — CID 23148945

IUPAC5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
SMILESCOc1ccccc1CCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O4/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(18-11)14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyXXFNFTPYTFCDPG-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.77
Rot. Bonds5

About 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid

5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid (PubChem CID 23148945) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
PubChem CID23148945
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
SMILESCOc1ccccc1CCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O4/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(18-11)14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyXXFNFTPYTFCDPG-UHFFFAOYSA-N
XLogP2.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970
2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 82302112
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 120687787
N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42659403
5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid (CID 23148945) is 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid is COc1ccccc1CCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid?
The InChIKey is XXFNFTPYTFCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(18-11)14(15)16/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid?
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 23148945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).