5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid

C16H18O4 — CID 20988808

IUPAC5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
SMILESCC(C)c1cccc(OC(C)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H18O4/c1-10(2)12-5-4-6-13(9-12)19-11(3)14-7-8-15(20-14)16(17)18/h4-11H,1-3H3,(H,17,18)
InChIKeyLXSZPUQFOCCMPB-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.24
Rot. Bonds5

About 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid

5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid (PubChem CID 20988808) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
PubChem CID20988808
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
SMILESCC(C)c1cccc(OC(C)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H18O4/c1-10(2)12-5-4-6-13(9-12)19-11(3)14-7-8-15(20-14)16(17)18/h4-11H,1-3H3,(H,17,18)
InChIKeyLXSZPUQFOCCMPB-UHFFFAOYSA-N
XLogP4.24
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246296
5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258057
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
CID 79086049
5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 79018091
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid
CID 79083816
5-[1-(4-bromo-2,6-dimethylphenoxy)ethyl]furan-2-carboxylic acid
CID 20984623
5-[1-(2-bromo-4-methoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 20984610
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid (CID 20988808) is 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid is CC(C)c1cccc(OC(C)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid?
The InChIKey is LXSZPUQFOCCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-10(2)12-5-4-6-13(9-12)19-11(3)14-7-8-15(20-14)16(17)18/h4-11H,1-3H3,(H,17,18).
What are the key properties of 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid?
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 20988808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).