10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid

C18H26O4 — CID 138723448

IUPAC10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid
SMILESCC(C=O)(CCCCCCCCC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C18H26O4/c1-18(14-19,15-9-11-16(20)12-10-15)13-7-5-3-2-4-6-8-17(21)22/h9-12,14,20H,2-8,13H2,1H3,(H,21,22)
InChIKeyPEQKUWYFVQTSEH-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.05
Rot. Bonds11

About 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid

10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid (PubChem CID 138723448) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid.

Molecular Properties

Compound Name10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid
PubChem CID138723448
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid
SMILESCC(C=O)(CCCCCCCCC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C18H26O4/c1-18(14-19,15-9-11-16(20)12-10-15)13-7-5-3-2-4-6-8-17(21)22/h9-12,14,20H,2-8,13H2,1H3,(H,21,22)
InChIKeyPEQKUWYFVQTSEH-UHFFFAOYSA-N
XLogP4.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(4-hydroxyphenyl)nonanedioic acid
CID 68957715
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
2-methyl-2-phenylicosanal
CID 174730762
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
CID 70464957
calcium;hydride;octadecanoic acid;phenol
CID 173411979
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
4-aminophenol;dodecanoic acid
CID 157063847
alumane;7,7-dimethyloctanoic acid
CID 174339298
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104

Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid?
The IUPAC name of 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid (CID 138723448) is 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid.
What is the SMILES notation for 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid?
The canonical SMILES for 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid is CC(C=O)(CCCCCCCCC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid?
The InChIKey is PEQKUWYFVQTSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-18(14-19,15-9-11-16(20)12-10-15)13-7-5-3-2-4-6-8-17(21)22/h9-12,14,20H,2-8,13H2,1H3,(H,21,22).
What are the key properties of 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid?
10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid has a molecular weight of 306.40 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid is sourced from PubChem (CID 138723448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).