2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid

C14H20O5 — CID 10880092

IUPAC2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid
SMILESCCCCC[C@@H](O)Cc1cc(O)c(C(=O)O)c(O)c1
InChIInChI=1S/C14H20O5/c1-2-3-4-5-10(15)6-9-7-11(16)13(14(18)19)12(17)8-9/h7-8,10,15-17H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyFYQVGLHZARJMDM-SNVBAGLBSA-N
MW268.31 g/mol
LogP2.28
Rot. Bonds7

About 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid

2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid (PubChem CID 10880092) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid
PubChem CID10880092
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid
SMILESCCCCC[C@@H](O)Cc1cc(O)c(C(=O)O)c(O)c1
InChIInChI=1S/C14H20O5/c1-2-3-4-5-10(15)6-9-7-11(16)13(14(18)19)12(17)8-9/h7-8,10,15-17H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyFYQVGLHZARJMDM-SNVBAGLBSA-N
XLogP2.28
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Zeranol
CID 2999413
Zearalenone
CID 5281576
Atraric Acid
CID 78435
beta-Zearalanol
CID 65434
Cannabidiolic acid
CID 160570
2,6-Dihydroxybenzoic Acid
CID 9338
Cannabigerolic Acid
CID 6449999
Ginkgolic acid
CID 5281858
Ginkgoneolic acid
CID 161306
(-)-alpha-Zearalenol
CID 5284645
Beta-Zearalenol
CID 6437352
Anacardic Acid
CID 167551

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid?
The IUPAC name of 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid (CID 10880092) is 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid.
What is the SMILES notation for 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid?
The canonical SMILES for 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid is CCCCC[C@@H](O)Cc1cc(O)c(C(=O)O)c(O)c1.
What is the InChIKey of 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid?
The InChIKey is FYQVGLHZARJMDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20O5/c1-2-3-4-5-10(15)6-9-7-11(16)13(14(18)19)12(17)8-9/h7-8,10,15-17H,2-6H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid?
2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-4-[(2R)-2-hydroxyheptyl]benzoic acid is sourced from PubChem (CID 10880092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).