18-hydroxy-11-phenylmethoxyoctadecanoic acid

C25H42O4 — CID 101300347

IUPAC18-hydroxy-11-phenylmethoxyoctadecanoic acid
SMILESO=C(O)CCCCCCCCCC(CCCCCCCO)OCc1ccccc1
InChIInChI=1S/C25H42O4/c26-21-15-8-4-6-13-19-24(29-22-23-16-10-9-11-17-23)18-12-5-2-1-3-7-14-20-25(27)28/h9-11,16-17,24,26H,1-8,12-15,18-22H2,(H,27,28)
InChIKeyUAMWYGAIOUKKDW-UHFFFAOYSA-N
MW406.61 g/mol
LogP6.50
Rot. Bonds20

About 18-hydroxy-11-phenylmethoxyoctadecanoic acid

18-hydroxy-11-phenylmethoxyoctadecanoic acid (PubChem CID 101300347) has the molecular formula C25H42O4 and a molecular weight of 406.61 g/mol. Its IUPAC name is 18-hydroxy-11-phenylmethoxyoctadecanoic acid.

Molecular Properties

Compound Name18-hydroxy-11-phenylmethoxyoctadecanoic acid
PubChem CID101300347
Molecular FormulaC25H42O4
Molecular Weight406.61 g/mol
Exact Mass406.31
IUPAC Name18-hydroxy-11-phenylmethoxyoctadecanoic acid
SMILESO=C(O)CCCCCCCCCC(CCCCCCCO)OCc1ccccc1
InChIInChI=1S/C25H42O4/c26-21-15-8-4-6-13-19-24(29-22-23-16-10-9-11-17-23)18-12-5-2-1-3-7-14-20-25(27)28/h9-11,16-17,24,26H,1-8,12-15,18-22H2,(H,27,28)
InChIKeyUAMWYGAIOUKKDW-UHFFFAOYSA-N
XLogP6.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

18-acetyloxy-6-phenylmethoxyoctadecanoic acid
CID 101300789
10-hydroxy-6-phenylmethoxyoctadecanoic acid
CID 101300161
11-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300469
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
11-acetyloxy-6-phenylmethoxyoctadecanoic acid
CID 101300775
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
5-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300457
14-hydroxy-5-phenylmethoxyoctadecanoic acid
CID 101300135
5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
18-acetyloxy-5-phenylmethoxyoctadecanoic acid
CID 101300755
16-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300105
4-phenylmethoxynonadecan-1-ol
CID 15735676

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-11-phenylmethoxyoctadecanoic acid?
The IUPAC name of 18-hydroxy-11-phenylmethoxyoctadecanoic acid (CID 101300347) is 18-hydroxy-11-phenylmethoxyoctadecanoic acid.
What is the SMILES notation for 18-hydroxy-11-phenylmethoxyoctadecanoic acid?
The canonical SMILES for 18-hydroxy-11-phenylmethoxyoctadecanoic acid is O=C(O)CCCCCCCCCC(CCCCCCCO)OCc1ccccc1.
What is the InChIKey of 18-hydroxy-11-phenylmethoxyoctadecanoic acid?
The InChIKey is UAMWYGAIOUKKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O4/c26-21-15-8-4-6-13-19-24(29-22-23-16-10-9-11-17-23)18-12-5-2-1-3-7-14-20-25(27)28/h9-11,16-17,24,26H,1-8,12-15,18-22H2,(H,27,28).
What are the key properties of 18-hydroxy-11-phenylmethoxyoctadecanoic acid?
18-hydroxy-11-phenylmethoxyoctadecanoic acid has a molecular weight of 406.61 g/mol, XLogP of 6.50, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-11-phenylmethoxyoctadecanoic acid is sourced from PubChem (CID 101300347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).