2-phenoxy-5-tetradecylphenol

C26H38O2 — CID 23647315

IUPAC2-phenoxy-5-tetradecylphenol
SMILESCCCCCCCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3
InChIKeyMLHTXTSULWDPMA-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.43
Rot. Bonds15

About 2-phenoxy-5-tetradecylphenol

2-phenoxy-5-tetradecylphenol (PubChem CID 23647315) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-phenoxy-5-tetradecylphenol.

Molecular Properties

Compound Name2-phenoxy-5-tetradecylphenol
PubChem CID23647315
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-phenoxy-5-tetradecylphenol
SMILESCCCCCCCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3
InChIKeyMLHTXTSULWDPMA-UHFFFAOYSA-N
XLogP8.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.43
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 2-phenoxy-5-tetradecylphenol?
The IUPAC name of 2-phenoxy-5-tetradecylphenol (CID 23647315) is 2-phenoxy-5-tetradecylphenol.
What is the SMILES notation for 2-phenoxy-5-tetradecylphenol?
The canonical SMILES for 2-phenoxy-5-tetradecylphenol is CCCCCCCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1.
What is the InChIKey of 2-phenoxy-5-tetradecylphenol?
The InChIKey is MLHTXTSULWDPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3.
What are the key properties of 2-phenoxy-5-tetradecylphenol?
2-phenoxy-5-tetradecylphenol has a molecular weight of 382.59 g/mol, XLogP of 8.43, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-tetradecylphenol is sourced from PubChem (CID 23647315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).