2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid

C11H12O5 — CID 117321380

IUPAC2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
SMILESO=C(O)c1cc(CC2(O)CC2)c(O)cc1O
InChIInChI=1S/C11H12O5/c12-8-4-9(13)7(10(14)15)3-6(8)5-11(16)1-2-11/h3-4,12-13,16H,1-2,5H2,(H,14,15)
InChIKeyHYTMQTPWYRZPSW-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.86
Rot. Bonds3

About 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid

2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid (PubChem CID 117321380) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
PubChem CID117321380
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
SMILESO=C(O)c1cc(CC2(O)CC2)c(O)cc1O
InChIInChI=1S/C11H12O5/c12-8-4-9(13)7(10(14)15)3-6(8)5-11(16)1-2-11/h3-4,12-13,16H,1-2,5H2,(H,14,15)
InChIKeyHYTMQTPWYRZPSW-UHFFFAOYSA-N
XLogP0.86
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Phloretin
CID 4788
2,4,6-Trihydroxybenzoic acid
CID 66520
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
Atraric Acid
CID 78435
2,4-Dihydroxybenzoic Acid
CID 1491
Isoliquiritigenin
CID 638278
2,4-Dihydroxybenzophenone
CID 8572
2',4,4',6'-Tetrahydroxychalcone
CID 5280960
2',4',6'-Trihydroxyacetophenone
CID 68073
2,6-Dihydroxybenzoic Acid
CID 9338
2',4'-Dihydroxyacetophenone
CID 6990
Cannabidiolic acid
CID 160570

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The IUPAC name of 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid (CID 117321380) is 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid.
What is the SMILES notation for 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The canonical SMILES for 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid is O=C(O)c1cc(CC2(O)CC2)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid?
The InChIKey is HYTMQTPWYRZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-8-4-9(13)7(10(14)15)3-6(8)5-11(16)1-2-11/h3-4,12-13,16H,1-2,5H2,(H,14,15).
What are the key properties of 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid?
2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid has a molecular weight of 224.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid is sourced from PubChem (CID 117321380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).