5-octyl-2-phenoxyphenol

C20H26O2 — CID 5274979

IUPAC5-octyl-2-phenoxyphenol
SMILESCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
InChIKeyJOWYBLIPWAMIHM-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.09
Rot. Bonds9

About 5-octyl-2-phenoxyphenol

5-octyl-2-phenoxyphenol (PubChem CID 5274979) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-octyl-2-phenoxyphenol.

Molecular Properties

Compound Name5-octyl-2-phenoxyphenol
PubChem CID5274979
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name5-octyl-2-phenoxyphenol
SMILESCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
InChIKeyJOWYBLIPWAMIHM-UHFFFAOYSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-octyl-2-phenoxyphenol?
The IUPAC name of 5-octyl-2-phenoxyphenol (CID 5274979) is 5-octyl-2-phenoxyphenol.
What is the SMILES notation for 5-octyl-2-phenoxyphenol?
The canonical SMILES for 5-octyl-2-phenoxyphenol is CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1.
What is the InChIKey of 5-octyl-2-phenoxyphenol?
The InChIKey is JOWYBLIPWAMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3.
What are the key properties of 5-octyl-2-phenoxyphenol?
5-octyl-2-phenoxyphenol has a molecular weight of 298.43 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2-phenoxyphenol is sourced from PubChem (CID 5274979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).