8-(4-hydroxyphenoxy)-2-methyloctanoic acid

C15H22O4 — CID 10220978

IUPAC8-(4-hydroxyphenoxy)-2-methyloctanoic acid
SMILESCC(CCCCCCOc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H22O4/c1-12(15(17)18)6-4-2-3-5-11-19-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,17,18)
InChIKeyFIWYSPAHWSUYCR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.44
Rot. Bonds9

About 8-(4-hydroxyphenoxy)-2-methyloctanoic acid

8-(4-hydroxyphenoxy)-2-methyloctanoic acid (PubChem CID 10220978) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-(4-hydroxyphenoxy)-2-methyloctanoic acid.

Molecular Properties

Compound Name8-(4-hydroxyphenoxy)-2-methyloctanoic acid
PubChem CID10220978
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name8-(4-hydroxyphenoxy)-2-methyloctanoic acid
SMILESCC(CCCCCCOc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H22O4/c1-12(15(17)18)6-4-2-3-5-11-19-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,17,18)
InChIKeyFIWYSPAHWSUYCR-UHFFFAOYSA-N
XLogP3.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.44
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

8-(4-methoxyphenoxy)-2-methyloctanoic acid
CID 10221340
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-(6-methyldecoxy)phenol
CID 14495583
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-octadecoxyphenol
CID 22179059
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
4-[4-(chloromethyl)phenoxy]-2-methylbutanoic acid
CID 21493879
2-methyl-4-[(4-nonoxyphenyl)methylamino]butanoic acid
CID 142267694
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenoxy)-2-methyloctanoic acid?
The IUPAC name of 8-(4-hydroxyphenoxy)-2-methyloctanoic acid (CID 10220978) is 8-(4-hydroxyphenoxy)-2-methyloctanoic acid.
What is the SMILES notation for 8-(4-hydroxyphenoxy)-2-methyloctanoic acid?
The canonical SMILES for 8-(4-hydroxyphenoxy)-2-methyloctanoic acid is CC(CCCCCCOc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 8-(4-hydroxyphenoxy)-2-methyloctanoic acid?
The InChIKey is FIWYSPAHWSUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(15(17)18)6-4-2-3-5-11-19-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,17,18).
What are the key properties of 8-(4-hydroxyphenoxy)-2-methyloctanoic acid?
8-(4-hydroxyphenoxy)-2-methyloctanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyphenoxy)-2-methyloctanoic acid is sourced from PubChem (CID 10220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).