4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol

C20H32O2 — CID 90849754

IUPAC4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol
SMILESC=CCCCCCCCC(O)c1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C20H32O2/c1-5-6-7-8-9-10-11-12-19(21)18-14-17(15(2)3)20(22)13-16(18)4/h5,13-15,19,21-22H,1,6-12H2,2-4H3
InChIKeyHMXIBXRLBPPPJV-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.77
Rot. Bonds10

About 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol

4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol (PubChem CID 90849754) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol
PubChem CID90849754
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol
SMILESC=CCCCCCCCC(O)c1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C20H32O2/c1-5-6-7-8-9-10-11-12-19(21)18-14-17(15(2)3)20(22)13-16(18)4/h5,13-15,19,21-22H,1,6-12H2,2-4H3
InChIKeyHMXIBXRLBPPPJV-UHFFFAOYSA-N
XLogP5.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol?
The IUPAC name of 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol (CID 90849754) is 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol is C=CCCCCCCCC(O)c1cc(C(C)C)c(O)cc1C.
What is the InChIKey of 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol?
The InChIKey is HMXIBXRLBPPPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-5-6-7-8-9-10-11-12-19(21)18-14-17(15(2)3)20(22)13-16(18)4/h5,13-15,19,21-22H,1,6-12H2,2-4H3.
What are the key properties of 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol?
4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol has a molecular weight of 304.47 g/mol, XLogP of 5.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 90849754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).