4-hexyl-2-propan-2-ylphenol

C15H24O — CID 154277952

IUPAC4-hexyl-2-propan-2-ylphenol
SMILESCCCCCCc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H24O/c1-4-5-6-7-8-13-9-10-15(16)14(11-13)12(2)3/h9-12,16H,4-8H2,1-3H3
InChIKeyNBYUQSBEPVLKKA-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.64
Rot. Bonds6

About 4-hexyl-2-propan-2-ylphenol

4-hexyl-2-propan-2-ylphenol (PubChem CID 154277952) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-hexyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-hexyl-2-propan-2-ylphenol
PubChem CID154277952
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-hexyl-2-propan-2-ylphenol
SMILESCCCCCCc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H24O/c1-4-5-6-7-8-13-9-10-15(16)14(11-13)12(2)3/h9-12,16H,4-8H2,1-3H3
InChIKeyNBYUQSBEPVLKKA-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(hydroxy)methyl]-4-octylphenol
CID 129073686
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-ethyl-4-heptylphenol
CID 58289223
2-[nitroso(phenyl)methyl]-4-nonylphenol
CID 54349256
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
CID 175900742
CID 175900742
2-iodo-5-pentadecylphenol
CID 11953466

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-propan-2-ylphenol?
The IUPAC name of 4-hexyl-2-propan-2-ylphenol (CID 154277952) is 4-hexyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-hexyl-2-propan-2-ylphenol?
The canonical SMILES for 4-hexyl-2-propan-2-ylphenol is CCCCCCc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-hexyl-2-propan-2-ylphenol?
The InChIKey is NBYUQSBEPVLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-5-6-7-8-13-9-10-15(16)14(11-13)12(2)3/h9-12,16H,4-8H2,1-3H3.
What are the key properties of 4-hexyl-2-propan-2-ylphenol?
4-hexyl-2-propan-2-ylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-propan-2-ylphenol is sourced from PubChem (CID 154277952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).