hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid

C16H20O5 — CID 173480280

IUPAChexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
SMILESCC=CC=CC(=O)O.CCCc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H12O3.C6H8O2/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-2-3-4-5-6(7)8/h4-6,11H,2-3H2,1H3,(H,12,13);2-5H,1H3,(H,7,8)
InChIKeyAGKJTXMADRXVEG-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.25
Rot. Bonds5

About hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid

hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid (PubChem CID 173480280) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid.

Molecular Properties

Compound Namehexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
PubChem CID173480280
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namehexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
SMILESCC=CC=CC(=O)O.CCCc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H12O3.C6H8O2/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-2-3-4-5-6(7)8/h4-6,11H,2-3H2,1H3,(H,12,13);2-5H,1H3,(H,7,8)
InChIKeyAGKJTXMADRXVEG-UHFFFAOYSA-N
XLogP3.25
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
4-hydroxy-2-pentylbenzoic acid
CID 23618603
4-hydroxy-2-octadecylbenzoic acid
CID 23112599
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
5-hydroxy-2-propylbenzoic acid
CID 23105136
2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
CID 70479873
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
phenyl 4-hydroxy-2-propylbenzoate
CID 70366089
4-hydroxy-2-[(1E,3E)-penta-1,3-dienyl]benzoic acid
CID 141309769
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
benzoic acid;ethanol;hexa-2,4-dienoic acid
CID 173357087

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid?
The IUPAC name of hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid (CID 173480280) is hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid.
What is the SMILES notation for hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid?
The canonical SMILES for hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid is CC=CC=CC(=O)O.CCCc1cc(O)ccc1C(=O)O.
What is the InChIKey of hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid?
The InChIKey is AGKJTXMADRXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C6H8O2/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-2-3-4-5-6(7)8/h4-6,11H,2-3H2,1H3,(H,12,13);2-5H,1H3,(H,7,8).
What are the key properties of hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid?
hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid is sourced from PubChem (CID 173480280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).