11-(3,5-dihydroxyphenoxy)undecanoic acid

C17H26O5 — CID 42626374

IUPAC11-(3,5-dihydroxyphenoxy)undecanoic acid
SMILESO=C(O)CCCCCCCCCCOc1cc(O)cc(O)c1
InChIInChI=1S/C17H26O5/c18-14-11-15(19)13-16(12-14)22-10-8-6-4-2-1-3-5-7-9-17(20)21/h11-13,18-19H,1-10H2,(H,20,21)
InChIKeyXXOKMRZJBTYDNN-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.07
Rot. Bonds12

About 11-(3,5-dihydroxyphenoxy)undecanoic acid

11-(3,5-dihydroxyphenoxy)undecanoic acid (PubChem CID 42626374) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 11-(3,5-dihydroxyphenoxy)undecanoic acid.

Molecular Properties

Compound Name11-(3,5-dihydroxyphenoxy)undecanoic acid
PubChem CID42626374
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name11-(3,5-dihydroxyphenoxy)undecanoic acid
SMILESO=C(O)CCCCCCCCCCOc1cc(O)cc(O)c1
InChIInChI=1S/C17H26O5/c18-14-11-15(19)13-16(12-14)22-10-8-6-4-2-1-3-5-7-9-17(20)21/h11-13,18-19H,1-10H2,(H,20,21)
InChIKeyXXOKMRZJBTYDNN-UHFFFAOYSA-N
XLogP4.07
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
9-phenoxynonanoic acid
CID 15887638
6-(3,5-diphenylphenoxy)hexanoic acid
CID 18987245
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
6-(4-aminophenoxy)hexanoic acid
CID 3028577
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
9-(4-phenylphenoxy)nonanoic acid
CID 66874790

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-dihydroxyphenoxy)undecanoic acid?
The IUPAC name of 11-(3,5-dihydroxyphenoxy)undecanoic acid (CID 42626374) is 11-(3,5-dihydroxyphenoxy)undecanoic acid.
What is the SMILES notation for 11-(3,5-dihydroxyphenoxy)undecanoic acid?
The canonical SMILES for 11-(3,5-dihydroxyphenoxy)undecanoic acid is O=C(O)CCCCCCCCCCOc1cc(O)cc(O)c1.
What is the InChIKey of 11-(3,5-dihydroxyphenoxy)undecanoic acid?
The InChIKey is XXOKMRZJBTYDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c18-14-11-15(19)13-16(12-14)22-10-8-6-4-2-1-3-5-7-9-17(20)21/h11-13,18-19H,1-10H2,(H,20,21).
What are the key properties of 11-(3,5-dihydroxyphenoxy)undecanoic acid?
11-(3,5-dihydroxyphenoxy)undecanoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-dihydroxyphenoxy)undecanoic acid is sourced from PubChem (CID 42626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).