4-(4-dodecylphenoxy)phenol

C24H34O2 — CID 134258509

IUPAC4-(4-dodecylphenoxy)phenol
SMILESCCCCCCCCCCCCc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-24-19-15-22(25)16-20-24/h13-20,25H,2-12H2,1H3
InChIKeyBNTBAPMYTXWMCJ-UHFFFAOYSA-N
MW354.53 g/mol
LogP7.65
Rot. Bonds13

About 4-(4-dodecylphenoxy)phenol

4-(4-dodecylphenoxy)phenol (PubChem CID 134258509) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-(4-dodecylphenoxy)phenol.

Molecular Properties

Compound Name4-(4-dodecylphenoxy)phenol
PubChem CID134258509
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name4-(4-dodecylphenoxy)phenol
SMILESCCCCCCCCCCCCc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-24-19-15-22(25)16-20-24/h13-20,25H,2-12H2,1H3
InChIKeyBNTBAPMYTXWMCJ-UHFFFAOYSA-N
XLogP7.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 57.65
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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Related Compounds

1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
methanolate;nickel(3+);4-octylphenol
CID 159960852
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411

Frequently Asked Questions

What is the IUPAC name of 4-(4-dodecylphenoxy)phenol?
The IUPAC name of 4-(4-dodecylphenoxy)phenol (CID 134258509) is 4-(4-dodecylphenoxy)phenol.
What is the SMILES notation for 4-(4-dodecylphenoxy)phenol?
The canonical SMILES for 4-(4-dodecylphenoxy)phenol is CCCCCCCCCCCCc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-dodecylphenoxy)phenol?
The InChIKey is BNTBAPMYTXWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-24-19-15-22(25)16-20-24/h13-20,25H,2-12H2,1H3.
What are the key properties of 4-(4-dodecylphenoxy)phenol?
4-(4-dodecylphenoxy)phenol has a molecular weight of 354.53 g/mol, XLogP of 7.65, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dodecylphenoxy)phenol is sourced from PubChem (CID 134258509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).