10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid

C19H28O4 — CID 12906132

IUPAC10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid
SMILESCc1cc(C)c(C(=O)CCCCCCCCC(=O)O)c(O)c1C
InChIInChI=1S/C19H28O4/c1-13-12-14(2)18(19(23)15(13)3)16(20)10-8-6-4-5-7-9-11-17(21)22/h12,23H,4-11H2,1-3H3,(H,21,22)
InChIKeyLRQXFYIZXFGRGB-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.71
Rot. Bonds10

About 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid

10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid (PubChem CID 12906132) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid
PubChem CID12906132
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid
SMILESCc1cc(C)c(C(=O)CCCCCCCCC(=O)O)c(O)c1C
InChIInChI=1S/C19H28O4/c1-13-12-14(2)18(19(23)15(13)3)16(20)10-8-6-4-5-7-9-11-17(21)22/h12,23H,4-11H2,1-3H3,(H,21,22)
InChIKeyLRQXFYIZXFGRGB-UHFFFAOYSA-N
XLogP4.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.71
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

7-(2-hydroxy-3,4,6-trimethylphenyl)-7-oxoheptanoic acid
CID 12906129
12-oxo-12-(2,3,5-trihydroxy-4-methylphenyl)dodecanoic acid
CID 177428674
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
8-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-8-oxooctanoic acid
CID 71527239
6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6-oxohexanoic acid
CID 121003459
gold;heptanedioic acid
CID 174896169
18-(3,5-ditert-butyl-4-hydroxyphenyl)-18-oxooctadecanoic acid
CID 153384876
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
dodecanedioic acid;1,4-xylene
CID 66586315
hexanedioic acid;2,3,5,6-tetramethylterephthalic acid
CID 175926564
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid?
The IUPAC name of 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid (CID 12906132) is 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid.
What is the SMILES notation for 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid?
The canonical SMILES for 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid is Cc1cc(C)c(C(=O)CCCCCCCCC(=O)O)c(O)c1C.
What is the InChIKey of 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid?
The InChIKey is LRQXFYIZXFGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-13-12-14(2)18(19(23)15(13)3)16(20)10-8-6-4-5-7-9-11-17(21)22/h12,23H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid?
10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid has a molecular weight of 320.43 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid is sourced from PubChem (CID 12906132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).