decan-1-ol;5-methyl-2-propan-2-ylphenol

C20H36O2 — CID 158013264

IUPACdecan-1-ol;5-methyl-2-propan-2-ylphenol
SMILESCCCCCCCCCCO.Cc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O.C10H22O/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3-4-5-6-7-8-9-10-11/h4-7,11H,1-3H3;11H,2-10H2,1H3
InChIKeyFFDRBZBJDCFAFC-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.94
Rot. Bonds9

About decan-1-ol;5-methyl-2-propan-2-ylphenol

decan-1-ol;5-methyl-2-propan-2-ylphenol (PubChem CID 158013264) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is decan-1-ol;5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Namedecan-1-ol;5-methyl-2-propan-2-ylphenol
PubChem CID158013264
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Namedecan-1-ol;5-methyl-2-propan-2-ylphenol
SMILESCCCCCCCCCCO.Cc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O.C10H22O/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3-4-5-6-7-8-9-10-11/h4-7,11H,1-3H3;11H,2-10H2,1H3
InChIKeyFFDRBZBJDCFAFC-UHFFFAOYSA-N
XLogP5.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-methyl-2-propan-2-ylphenol;zinc
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cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
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CID 174668516
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
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5-methyl-2-pentylphenol;3-methyl-4-propan-2-ylphenol
CID 70210604
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
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CID 70978775

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;5-methyl-2-propan-2-ylphenol?
The IUPAC name of decan-1-ol;5-methyl-2-propan-2-ylphenol (CID 158013264) is decan-1-ol;5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for decan-1-ol;5-methyl-2-propan-2-ylphenol?
The canonical SMILES for decan-1-ol;5-methyl-2-propan-2-ylphenol is CCCCCCCCCCO.Cc1ccc(C(C)C)c(O)c1.
What is the InChIKey of decan-1-ol;5-methyl-2-propan-2-ylphenol?
The InChIKey is FFDRBZBJDCFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C10H22O/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-3-4-5-6-7-8-9-10-11/h4-7,11H,1-3H3;11H,2-10H2,1H3.
What are the key properties of decan-1-ol;5-methyl-2-propan-2-ylphenol?
decan-1-ol;5-methyl-2-propan-2-ylphenol has a molecular weight of 308.51 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 158013264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).