4-[11-(4-hydroxyphenyl)undecyl]phenol

C23H32O2 — CID 23191182

IUPAC4-[11-(4-hydroxyphenyl)undecyl]phenol
SMILESOc1ccc(CCCCCCCCCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C23H32O2/c24-22-16-12-20(13-17-22)10-8-6-4-2-1-3-5-7-9-11-21-14-18-23(25)19-15-21/h12-19,24-25H,1-11H2
InChIKeyMNMOXDCMIKOMDV-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.39
Rot. Bonds12

About 4-[11-(4-hydroxyphenyl)undecyl]phenol

4-[11-(4-hydroxyphenyl)undecyl]phenol (PubChem CID 23191182) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-[11-(4-hydroxyphenyl)undecyl]phenol.

Molecular Properties

Compound Name4-[11-(4-hydroxyphenyl)undecyl]phenol
PubChem CID23191182
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name4-[11-(4-hydroxyphenyl)undecyl]phenol
SMILESOc1ccc(CCCCCCCCCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C23H32O2/c24-22-16-12-20(13-17-22)10-8-6-4-2-1-3-5-7-9-11-21-14-18-23(25)19-15-21/h12-19,24-25H,1-11H2
InChIKeyMNMOXDCMIKOMDV-UHFFFAOYSA-N
XLogP6.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(12-hydroxydodecyl)phenol
CID 139809285
4-(6-iodohexyl)phenol
CID 23455799
4-(8-sulfanyloctyl)phenol
CID 58675994
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
methanolate;nickel(3+);4-octylphenol
CID 159960852
4-tetradec-13-enylphenol
CID 157380665

Frequently Asked Questions

What is the IUPAC name of 4-[11-(4-hydroxyphenyl)undecyl]phenol?
The IUPAC name of 4-[11-(4-hydroxyphenyl)undecyl]phenol (CID 23191182) is 4-[11-(4-hydroxyphenyl)undecyl]phenol.
What is the SMILES notation for 4-[11-(4-hydroxyphenyl)undecyl]phenol?
The canonical SMILES for 4-[11-(4-hydroxyphenyl)undecyl]phenol is Oc1ccc(CCCCCCCCCCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[11-(4-hydroxyphenyl)undecyl]phenol?
The InChIKey is MNMOXDCMIKOMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c24-22-16-12-20(13-17-22)10-8-6-4-2-1-3-5-7-9-11-21-14-18-23(25)19-15-21/h12-19,24-25H,1-11H2.
What are the key properties of 4-[11-(4-hydroxyphenyl)undecyl]phenol?
4-[11-(4-hydroxyphenyl)undecyl]phenol has a molecular weight of 340.51 g/mol, XLogP of 6.39, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[11-(4-hydroxyphenyl)undecyl]phenol is sourced from PubChem (CID 23191182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).