5-hexyl-2-phenoxyphenol

C18H22O2 — CID 5274977

IUPAC5-hexyl-2-phenoxyphenol
SMILESCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKeySXGQGHHNOWYMRT-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.31
Rot. Bonds7

About 5-hexyl-2-phenoxyphenol

5-hexyl-2-phenoxyphenol (PubChem CID 5274977) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-hexyl-2-phenoxyphenol.

Molecular Properties

Compound Name5-hexyl-2-phenoxyphenol
PubChem CID5274977
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name5-hexyl-2-phenoxyphenol
SMILESCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKeySXGQGHHNOWYMRT-UHFFFAOYSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.31
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-hexyl-2-phenoxyphenol?
The IUPAC name of 5-hexyl-2-phenoxyphenol (CID 5274977) is 5-hexyl-2-phenoxyphenol.
What is the SMILES notation for 5-hexyl-2-phenoxyphenol?
The canonical SMILES for 5-hexyl-2-phenoxyphenol is CCCCCCc1ccc(Oc2ccccc2)c(O)c1.
What is the InChIKey of 5-hexyl-2-phenoxyphenol?
The InChIKey is SXGQGHHNOWYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3.
What are the key properties of 5-hexyl-2-phenoxyphenol?
5-hexyl-2-phenoxyphenol has a molecular weight of 270.37 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-phenoxyphenol is sourced from PubChem (CID 5274977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).