3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid

C15H16O5 — CID 43153146

IUPAC3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCCCOc1ccc(OCc2ccoc2C(=O)O)cc1
InChIInChI=1S/C15H16O5/c1-2-8-18-12-3-5-13(6-4-12)20-10-11-7-9-19-14(11)15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyNGZMHOYUZLSGSM-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.35
Rot. Bonds7

About 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid

3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 43153146) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
PubChem CID43153146
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCCCOc1ccc(OCc2ccoc2C(=O)O)cc1
InChIInChI=1S/C15H16O5/c1-2-8-18-12-3-5-13(6-4-12)20-10-11-7-9-19-14(11)15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyNGZMHOYUZLSGSM-UHFFFAOYSA-N
XLogP3.35
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid
CID 43244453
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
CID 51311556
3-butoxy-4-oxopyran-2-carboxylic acid
CID 87065598
N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
CID 86864591
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-(but-2-enoxymethyl)furan-2-carboxylic acid
CID 76938194
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid (CID 43153146) is 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid is CCCOc1ccc(OCc2ccoc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is NGZMHOYUZLSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-2-8-18-12-3-5-13(6-4-12)20-10-11-7-9-19-14(11)15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17).
What are the key properties of 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid?
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43153146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).