4-hydroxy-6-phenylmethoxyhexanoic acid

C13H18O4 — CID 130913832

IUPAC4-hydroxy-6-phenylmethoxyhexanoic acid
SMILESO=C(O)CCC(O)CCOCc1ccccc1
InChIInChI=1S/C13H18O4/c14-12(6-7-13(15)16)8-9-17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyUUSKRSYFQFASBI-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.82
Rot. Bonds8

About 4-hydroxy-6-phenylmethoxyhexanoic acid

4-hydroxy-6-phenylmethoxyhexanoic acid (PubChem CID 130913832) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-hydroxy-6-phenylmethoxyhexanoic acid.

Molecular Properties

Compound Name4-hydroxy-6-phenylmethoxyhexanoic acid
PubChem CID130913832
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-hydroxy-6-phenylmethoxyhexanoic acid
SMILESO=C(O)CCC(O)CCOCc1ccccc1
InChIInChI=1S/C13H18O4/c14-12(6-7-13(15)16)8-9-17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyUUSKRSYFQFASBI-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.82
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

9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-phenylmethoxypropanoic acid)
CID 174146659

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenylmethoxyhexanoic acid?
The IUPAC name of 4-hydroxy-6-phenylmethoxyhexanoic acid (CID 130913832) is 4-hydroxy-6-phenylmethoxyhexanoic acid.
What is the SMILES notation for 4-hydroxy-6-phenylmethoxyhexanoic acid?
The canonical SMILES for 4-hydroxy-6-phenylmethoxyhexanoic acid is O=C(O)CCC(O)CCOCc1ccccc1.
What is the InChIKey of 4-hydroxy-6-phenylmethoxyhexanoic acid?
The InChIKey is UUSKRSYFQFASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-12(6-7-13(15)16)8-9-17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16).
What are the key properties of 4-hydroxy-6-phenylmethoxyhexanoic acid?
4-hydroxy-6-phenylmethoxyhexanoic acid has a molecular weight of 238.28 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 130913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).