10-hydroxy-6-phenylmethoxyoctadecanoic acid

C25H42O4 — CID 101300161

IUPAC10-hydroxy-6-phenylmethoxyoctadecanoic acid
SMILESCCCCCCCCC(O)CCCC(CCCCC(=O)O)OCc1ccccc1
InChIInChI=1S/C25H42O4/c1-2-3-4-5-6-10-16-23(26)17-13-19-24(18-11-12-20-25(27)28)29-21-22-14-8-7-9-15-22/h7-9,14-15,23-24,26H,2-6,10-13,16-21H2,1H3,(H,27,28)
InChIKeyIGRPSORFIQBGMS-UHFFFAOYSA-N
MW406.61 g/mol
LogP6.50
Rot. Bonds19

About 10-hydroxy-6-phenylmethoxyoctadecanoic acid

10-hydroxy-6-phenylmethoxyoctadecanoic acid (PubChem CID 101300161) has the molecular formula C25H42O4 and a molecular weight of 406.61 g/mol. Its IUPAC name is 10-hydroxy-6-phenylmethoxyoctadecanoic acid.

Molecular Properties

Compound Name10-hydroxy-6-phenylmethoxyoctadecanoic acid
PubChem CID101300161
Molecular FormulaC25H42O4
Molecular Weight406.61 g/mol
Exact Mass406.31
IUPAC Name10-hydroxy-6-phenylmethoxyoctadecanoic acid
SMILESCCCCCCCCC(O)CCCC(CCCCC(=O)O)OCc1ccccc1
InChIInChI=1S/C25H42O4/c1-2-3-4-5-6-10-16-23(26)17-13-19-24(18-11-12-20-25(27)28)29-21-22-14-8-7-9-15-22/h7-9,14-15,23-24,26H,2-6,10-13,16-21H2,1H3,(H,27,28)
InChIKeyIGRPSORFIQBGMS-UHFFFAOYSA-N
XLogP6.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
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

5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
11-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300469
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
14-hydroxy-5-phenylmethoxyoctadecanoic acid
CID 101300135
5-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300457
barium(2+);bis(10-hydroxy-6-phenylmethoxyoctadecanoate)
CID 101300160
barium(2+);bis(13-hydroxy-6-phenylmethoxyoctadecanoate)
CID 101300166
barium(2+);bis(8-hydroxy-4-phenylmethoxyoctadecanoate)
CID 101300088
11-acetyloxy-6-phenylmethoxyoctadecanoic acid
CID 101300775
barium(2+);bis(11-hydroxy-8-phenylmethoxyoctadecanoate)
CID 101300230
16-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300105
barium(2+);bis(4-hydroxy-12-phenylmethoxyoctadecanoate)
CID 101300352

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-6-phenylmethoxyoctadecanoic acid?
The IUPAC name of 10-hydroxy-6-phenylmethoxyoctadecanoic acid (CID 101300161) is 10-hydroxy-6-phenylmethoxyoctadecanoic acid.
What is the SMILES notation for 10-hydroxy-6-phenylmethoxyoctadecanoic acid?
The canonical SMILES for 10-hydroxy-6-phenylmethoxyoctadecanoic acid is CCCCCCCCC(O)CCCC(CCCCC(=O)O)OCc1ccccc1.
What is the InChIKey of 10-hydroxy-6-phenylmethoxyoctadecanoic acid?
The InChIKey is IGRPSORFIQBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O4/c1-2-3-4-5-6-10-16-23(26)17-13-19-24(18-11-12-20-25(27)28)29-21-22-14-8-7-9-15-22/h7-9,14-15,23-24,26H,2-6,10-13,16-21H2,1H3,(H,27,28).
What are the key properties of 10-hydroxy-6-phenylmethoxyoctadecanoic acid?
10-hydroxy-6-phenylmethoxyoctadecanoic acid has a molecular weight of 406.61 g/mol, XLogP of 6.50, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-6-phenylmethoxyoctadecanoic acid is sourced from PubChem (CID 101300161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).