4-octyl-2-(oxiran-2-yl)phenol

C16H24O2 — CID 23290631

IUPAC4-octyl-2-(oxiran-2-yl)phenol
SMILESCCCCCCCCc1ccc(O)c(C2CO2)c1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-13-9-10-15(17)14(11-13)16-12-18-16/h9-11,16-17H,2-8,12H2,1H3
InChIKeyRDZXNIFFMZXFGT-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.37
Rot. Bonds8

About 4-octyl-2-(oxiran-2-yl)phenol

4-octyl-2-(oxiran-2-yl)phenol (PubChem CID 23290631) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-octyl-2-(oxiran-2-yl)phenol.

Molecular Properties

Compound Name4-octyl-2-(oxiran-2-yl)phenol
PubChem CID23290631
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-octyl-2-(oxiran-2-yl)phenol
SMILESCCCCCCCCc1ccc(O)c(C2CO2)c1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-13-9-10-15(17)14(11-13)16-12-18-16/h9-11,16-17H,2-8,12H2,1H3
InChIKeyRDZXNIFFMZXFGT-UHFFFAOYSA-N
XLogP4.37
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-ethyl-4-heptylphenol
CID 58289223
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
CID 175900742
CID 175900742
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
2-iodo-5-pentadecylphenol
CID 11953466
5-decyl-2-hydroxybenzonitrile
CID 21246706

Frequently Asked Questions

What is the IUPAC name of 4-octyl-2-(oxiran-2-yl)phenol?
The IUPAC name of 4-octyl-2-(oxiran-2-yl)phenol (CID 23290631) is 4-octyl-2-(oxiran-2-yl)phenol.
What is the SMILES notation for 4-octyl-2-(oxiran-2-yl)phenol?
The canonical SMILES for 4-octyl-2-(oxiran-2-yl)phenol is CCCCCCCCc1ccc(O)c(C2CO2)c1.
What is the InChIKey of 4-octyl-2-(oxiran-2-yl)phenol?
The InChIKey is RDZXNIFFMZXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-13-9-10-15(17)14(11-13)16-12-18-16/h9-11,16-17H,2-8,12H2,1H3.
What are the key properties of 4-octyl-2-(oxiran-2-yl)phenol?
4-octyl-2-(oxiran-2-yl)phenol has a molecular weight of 248.37 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-2-(oxiran-2-yl)phenol is sourced from PubChem (CID 23290631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).