5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid

C14H14O5 — CID 106946154

IUPAC5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
SMILESCOCc1ccccc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O5/c1-18-8-9-4-2-3-5-10(9)13(15)11-6-7-12(19-11)14(16)17/h2-7,13,15H,8H2,1H3,(H,16,17)
InChIKeyPLRCKWRIXXSWPS-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.21
Rot. Bonds5

About 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid

5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid (PubChem CID 106946154) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
PubChem CID106946154
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
SMILESCOCc1ccccc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O5/c1-18-8-9-4-2-3-5-10(9)13(15)11-6-7-12(19-11)14(16)17/h2-7,13,15H,8H2,1H3,(H,16,17)
InChIKeyPLRCKWRIXXSWPS-UHFFFAOYSA-N
XLogP2.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
CID 91995996
5-[(2-tert-butylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947428
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947326
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
5-[methoxy(phenyl)methyl]furan-2-carboxylic acid
CID 13153963
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid (CID 106946154) is 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid is COCc1ccccc1C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid?
The InChIKey is PLRCKWRIXXSWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-18-8-9-4-2-3-5-10(9)13(15)11-6-7-12(19-11)14(16)17/h2-7,13,15H,8H2,1H3,(H,16,17).
What are the key properties of 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid?
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).