11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol

C34H54O4 — CID 15113939

IUPAC11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCCCCCO)cc2)cc1
InChIInChI=1S/C34H54O4/c35-27-15-11-7-3-1-5-9-13-17-29-37-33-23-19-31(20-24-33)32-21-25-34(26-22-32)38-30-18-14-10-6-2-4-8-12-16-28-36/h19-26,35-36H,1-18,27-30H2
InChIKeyACEHOSVEMQQWAI-UHFFFAOYSA-N
MW526.80 g/mol
LogP9.12
Rot. Bonds25

About 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol (PubChem CID 15113939) has the molecular formula C34H54O4 and a molecular weight of 526.80 g/mol. Its IUPAC name is 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol.

Molecular Properties

Compound Name11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
PubChem CID15113939
Molecular FormulaC34H54O4
Molecular Weight526.80 g/mol
Exact Mass526.40
IUPAC Name11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCCCCCO)cc2)cc1
InChIInChI=1S/C34H54O4/c35-27-15-11-7-3-1-5-9-13-17-29-37-33-23-19-31(20-24-33)32-21-25-34(26-22-32)38-30-18-14-10-6-2-4-8-12-16-28-36/h19-26,35-36H,1-18,27-30H2
InChIKeyACEHOSVEMQQWAI-UHFFFAOYSA-N
XLogP9.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
CID 145339754
[4-(11-hydroxyundecoxy)phenyl] 4-[4-(11-hydroxyundecoxy)phenyl]benzoate
CID 67639962
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
7-phenoxyheptan-1-ol
CID 15856264
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The IUPAC name of 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol (CID 15113939) is 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol.
What is the SMILES notation for 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The canonical SMILES for 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol is OCCCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCCCCCO)cc2)cc1.
What is the InChIKey of 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The InChIKey is ACEHOSVEMQQWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O4/c35-27-15-11-7-3-1-5-9-13-17-29-37-33-23-19-31(20-24-33)32-21-25-34(26-22-32)38-30-18-14-10-6-2-4-8-12-16-28-36/h19-26,35-36H,1-18,27-30H2.
What are the key properties of 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol has a molecular weight of 526.80 g/mol, XLogP of 9.12, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol is sourced from PubChem (CID 15113939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).