5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid

C14H14O5 — CID 132990930

IUPAC5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid
SMILESCOc1cc(-c2cc(C)c(C(=O)O)o2)c(C)cc1O
InChIInChI=1S/C14H14O5/c1-7-4-10(15)12(18-3)6-9(7)11-5-8(2)13(19-11)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyZLTUYUWQECUBBS-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.98
Rot. Bonds3

About 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid

5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid (PubChem CID 132990930) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid
PubChem CID132990930
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid
SMILESCOc1cc(-c2cc(C)c(C(=O)O)o2)c(C)cc1O
InChIInChI=1S/C14H14O5/c1-7-4-10(15)12(18-3)6-9(7)11-5-8(2)13(19-11)14(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyZLTUYUWQECUBBS-UHFFFAOYSA-N
XLogP2.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82302136
5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 45269018
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423407
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-[(2-methoxyphenyl)sulfonylmethyl]-3-methylfuran-2-carboxylic acid
CID 61298158
4-(3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)phthalic acid
CID 20549096
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid (CID 132990930) is 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid is COc1cc(-c2cc(C)c(C(=O)O)o2)c(C)cc1O.
What is the InChIKey of 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid?
The InChIKey is ZLTUYUWQECUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-7-4-10(15)12(18-3)6-9(7)11-5-8(2)13(19-11)14(16)17/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid?
5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 132990930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).