2-hydroxy-3-methoxyterephthalic acid

C9H8O6 — CID 150906363

IUPAC2-hydroxy-3-methoxyterephthalic acid
SMILESCOc1c(C(=O)O)ccc(C(=O)O)c1O
InChIInChI=1S/C9H8O6/c1-15-7-5(9(13)14)3-2-4(6(7)10)8(11)12/h2-3,10H,1H3,(H,11,12)(H,13,14)
InChIKeyLBBHJIPHOXMRMH-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.80
Rot. Bonds3

About 2-hydroxy-3-methoxyterephthalic acid

2-hydroxy-3-methoxyterephthalic acid (PubChem CID 150906363) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-hydroxy-3-methoxyterephthalic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxyterephthalic acid
PubChem CID150906363
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name2-hydroxy-3-methoxyterephthalic acid
SMILESCOc1c(C(=O)O)ccc(C(=O)O)c1O
InChIInChI=1S/C9H8O6/c1-15-7-5(9(13)14)3-2-4(6(7)10)8(11)12/h2-3,10H,1H3,(H,11,12)(H,13,14)
InChIKeyLBBHJIPHOXMRMH-UHFFFAOYSA-N
XLogP0.80
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
CID 170123205
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CID 58316178
2-chloro-3-methoxyterephthalic acid
CID 126601706
2-amino-3-methoxyterephthalic acid
CID 132516468
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
CID 67856266
CID 67856266
3-amino-4-chloro-2-methoxybenzoic acid
CID 84670289
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxyterephthalic acid?
The IUPAC name of 2-hydroxy-3-methoxyterephthalic acid (CID 150906363) is 2-hydroxy-3-methoxyterephthalic acid.
What is the SMILES notation for 2-hydroxy-3-methoxyterephthalic acid?
The canonical SMILES for 2-hydroxy-3-methoxyterephthalic acid is COc1c(C(=O)O)ccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxyterephthalic acid?
The InChIKey is LBBHJIPHOXMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c1-15-7-5(9(13)14)3-2-4(6(7)10)8(11)12/h2-3,10H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxy-3-methoxyterephthalic acid?
2-hydroxy-3-methoxyterephthalic acid has a molecular weight of 212.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxyterephthalic acid is sourced from PubChem (CID 150906363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).