2,4-dihydroxy-6-propylbenzoic acid

C10H12O4 — CID 20834

IUPAC2,4-dihydroxy-6-propylbenzoic acid
SMILESCCCc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKeyRIVVNGIVVYEIRS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.75
Rot. Bonds3

About 2,4-dihydroxy-6-propylbenzoic acid

2,4-dihydroxy-6-propylbenzoic acid (PubChem CID 20834) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,4-dihydroxy-6-propylbenzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-6-propylbenzoic acid
PubChem CID20834
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,4-dihydroxy-6-propylbenzoic acid
SMILESCCCc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKeyRIVVNGIVVYEIRS-UHFFFAOYSA-N
XLogP1.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Emodin
CID 3220
Phloretin
CID 4788
Zeranol
CID 2999413
Zearalenone
CID 5281576
Butein
CID 5281222
2,4,6-Trihydroxybenzoic acid
CID 66520
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
Atraric Acid
CID 78435
beta-Zearalanol
CID 65434
2,4-Dihydroxybenzoic Acid
CID 1491
Isoliquiritigenin
CID 638278
2,4-Dihydroxybenzophenone
CID 8572

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-propylbenzoic acid?
The IUPAC name of 2,4-dihydroxy-6-propylbenzoic acid (CID 20834) is 2,4-dihydroxy-6-propylbenzoic acid.
What is the SMILES notation for 2,4-dihydroxy-6-propylbenzoic acid?
The canonical SMILES for 2,4-dihydroxy-6-propylbenzoic acid is CCCc1cc(O)cc(O)c1C(=O)O.
What is the InChIKey of 2,4-dihydroxy-6-propylbenzoic acid?
The InChIKey is RIVVNGIVVYEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14).
What are the key properties of 2,4-dihydroxy-6-propylbenzoic acid?
2,4-dihydroxy-6-propylbenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-propylbenzoic acid is sourced from PubChem (CID 20834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).