(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid

C15H20O3 — CID 149233586

IUPAC(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid
SMILESCC(C)c1ccc(O)c(C/C=C/CCC(=O)O)c1
InChIInChI=1S/C15H20O3/c1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,17,18)/b4-3+
InChIKeyXKTYQNXOTUFOHZ-ONEGZZNKSA-N
MW248.32 g/mol
LogP3.48
Rot. Bonds6

About (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid

(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid (PubChem CID 149233586) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid.

Molecular Properties

Compound Name(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid
PubChem CID149233586
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid
SMILESCC(C)c1ccc(O)c(C/C=C/CCC(=O)O)c1
InChIInChI=1S/C15H20O3/c1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,17,18)/b4-3+
InChIKeyXKTYQNXOTUFOHZ-ONEGZZNKSA-N
XLogP3.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid?
The IUPAC name of (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid (CID 149233586) is (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid.
What is the SMILES notation for (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid?
The canonical SMILES for (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid is CC(C)c1ccc(O)c(C/C=C/CCC(=O)O)c1.
What is the InChIKey of (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid?
The InChIKey is XKTYQNXOTUFOHZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)12-8-9-14(16)13(10-12)6-4-3-5-7-15(17)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,17,18)/b4-3+.
What are the key properties of (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid?
(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid is sourced from PubChem (CID 149233586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).