11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol

C34H54O4 — CID 139835438

IUPAC11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
SMILESOCCCCCCCCCCCOc1ccccc1-c1ccccc1OCCCCCCCCCCCO
InChIInChI=1S/C34H54O4/c35-27-19-11-7-3-1-5-9-13-21-29-37-33-25-17-15-23-31(33)32-24-16-18-26-34(32)38-30-22-14-10-6-2-4-8-12-20-28-36/h15-18,23-26,35-36H,1-14,19-22,27-30H2
InChIKeyXXCRIOPIHWIPDK-UHFFFAOYSA-N
MW526.80 g/mol
LogP9.12
Rot. Bonds25

About 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol

11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol (PubChem CID 139835438) has the molecular formula C34H54O4 and a molecular weight of 526.80 g/mol. Its IUPAC name is 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol.

Molecular Properties

Compound Name11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
PubChem CID139835438
Molecular FormulaC34H54O4
Molecular Weight526.80 g/mol
Exact Mass526.40
IUPAC Name11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
SMILESOCCCCCCCCCCCOc1ccccc1-c1ccccc1OCCCCCCCCCCCO
InChIInChI=1S/C34H54O4/c35-27-19-11-7-3-1-5-9-13-21-29-37-33-25-17-15-23-31(33)32-24-16-18-26-34(32)38-30-22-14-10-6-2-4-8-12-20-28-36/h15-18,23-26,35-36H,1-14,19-22,27-30H2
InChIKeyXXCRIOPIHWIPDK-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'}

Analyze 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005

Frequently Asked Questions

What is the IUPAC name of 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The IUPAC name of 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol (CID 139835438) is 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol.
What is the SMILES notation for 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The canonical SMILES for 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol is OCCCCCCCCCCCOc1ccccc1-c1ccccc1OCCCCCCCCCCCO.
What is the InChIKey of 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
The InChIKey is XXCRIOPIHWIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O4/c35-27-19-11-7-3-1-5-9-13-21-29-37-33-25-17-15-23-31(33)32-24-16-18-26-34(32)38-30-22-14-10-6-2-4-8-12-20-28-36/h15-18,23-26,35-36H,1-14,19-22,27-30H2.
What are the key properties of 11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol?
11-[2-[2-(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-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol is sourced from PubChem (CID 139835438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).