2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid

C14H14O6 — CID 107432102

IUPAC2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(O)c2occc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H14O6/c1-18-8-3-4-9(11(7-8)19-2)12(15)13-10(14(16)17)5-6-20-13/h3-7,12,15H,1-2H3,(H,16,17)
InChIKeyCUNCOFVTDOQPBR-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.08
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid

2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid (PubChem CID 107432102) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
PubChem CID107432102
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(O)c2occc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H14O6/c1-18-8-3-4-9(11(7-8)19-2)12(15)13-10(14(16)17)5-6-20-13/h3-7,12,15H,1-2H3,(H,16,17)
InChIKeyCUNCOFVTDOQPBR-UHFFFAOYSA-N
XLogP2.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293057
2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid
CID 10685036
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid (CID 107432102) is 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid is COc1ccc(C(O)c2occc2C(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid?
The InChIKey is CUNCOFVTDOQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-18-8-3-4-9(11(7-8)19-2)12(15)13-10(14(16)17)5-6-20-13/h3-7,12,15H,1-2H3,(H,16,17).
What are the key properties of 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid?
2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).