5-hexyl-2-(2-methylphenoxy)phenol

C19H24O2 — CID 16727110

IUPAC5-hexyl-2-(2-methylphenoxy)phenol
SMILESCCCCCCc1ccc(Oc2ccccc2C)c(O)c1
InChIInChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3
InChIKeyKSWHNTPMGZKIOB-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.62
Rot. Bonds7

About 5-hexyl-2-(2-methylphenoxy)phenol

5-hexyl-2-(2-methylphenoxy)phenol (PubChem CID 16727110) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-hexyl-2-(2-methylphenoxy)phenol.

Molecular Properties

Compound Name5-hexyl-2-(2-methylphenoxy)phenol
PubChem CID16727110
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name5-hexyl-2-(2-methylphenoxy)phenol
SMILESCCCCCCc1ccc(Oc2ccccc2C)c(O)c1
InChIInChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3
InChIKeyKSWHNTPMGZKIOB-UHFFFAOYSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.62
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-(2-methylphenoxy)phenol?
The IUPAC name of 5-hexyl-2-(2-methylphenoxy)phenol (CID 16727110) is 5-hexyl-2-(2-methylphenoxy)phenol.
What is the SMILES notation for 5-hexyl-2-(2-methylphenoxy)phenol?
The canonical SMILES for 5-hexyl-2-(2-methylphenoxy)phenol is CCCCCCc1ccc(Oc2ccccc2C)c(O)c1.
What is the InChIKey of 5-hexyl-2-(2-methylphenoxy)phenol?
The InChIKey is KSWHNTPMGZKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3.
What are the key properties of 5-hexyl-2-(2-methylphenoxy)phenol?
5-hexyl-2-(2-methylphenoxy)phenol has a molecular weight of 284.40 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(2-methylphenoxy)phenol is sourced from PubChem (CID 16727110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).