(2R)-2-phenylmethoxyoctadecanoic acid

C25H42O3 — CID 102498485

IUPAC(2R)-2-phenylmethoxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(26)27)28-22-23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyAJLAKQLJZUQQAD-XMMPIXPASA-N
MW390.61 g/mol
LogP7.53
Rot. Bonds19

About (2R)-2-phenylmethoxyoctadecanoic acid

(2R)-2-phenylmethoxyoctadecanoic acid (PubChem CID 102498485) has the molecular formula C25H42O3 and a molecular weight of 390.61 g/mol. Its IUPAC name is (2R)-2-phenylmethoxyoctadecanoic acid.

Molecular Properties

Compound Name(2R)-2-phenylmethoxyoctadecanoic acid
PubChem CID102498485
Molecular FormulaC25H42O3
Molecular Weight390.61 g/mol
Exact Mass390.31
IUPAC Name(2R)-2-phenylmethoxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(26)27)28-22-23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyAJLAKQLJZUQQAD-XMMPIXPASA-N
XLogP7.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
barium(2+);bis(7-hydroxy-2-phenylmethoxyoctadecanoate)
CID 101300018
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
bis(7-acetyloxy-2-phenylmethoxyoctadecanoate);barium(2+)
CID 101300630
(2S,3R)-3-phenylmethoxy-2-tetradecyloctadecanoic acid
CID 15977400
2-phenylmethoxybutanoic acid
CID 11816388
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
bis(2-acetyloxy-13-phenylmethoxyoctadecanoate);barium(2+)
CID 101300994
1-phenylmethoxydecan-1-ol
CID 152749890
2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylmethoxyoctadecanoic acid?
The IUPAC name of (2R)-2-phenylmethoxyoctadecanoic acid (CID 102498485) is (2R)-2-phenylmethoxyoctadecanoic acid.
What is the SMILES notation for (2R)-2-phenylmethoxyoctadecanoic acid?
The canonical SMILES for (2R)-2-phenylmethoxyoctadecanoic acid is CCCCCCCCCCCCCCCC[C@@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-phenylmethoxyoctadecanoic acid?
The InChIKey is AJLAKQLJZUQQAD-XMMPIXPASA-N. The full InChI is InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(26)27)28-22-23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,26,27)/t24-/m1/s1.
What are the key properties of (2R)-2-phenylmethoxyoctadecanoic acid?
(2R)-2-phenylmethoxyoctadecanoic acid has a molecular weight of 390.61 g/mol, XLogP of 7.53, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylmethoxyoctadecanoic acid is sourced from PubChem (CID 102498485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).