5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid

C18H26O5 — CID 70464957

IUPAC5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
SMILESCC(C)(CCC(C)(CCCC(=O)O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H26O5/c1-17(2,16(22)23)11-12-18(3,10-4-5-15(20)21)13-6-8-14(19)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyLGBHZVUQDDAUMO-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.80
Rot. Bonds9

About 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid

5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid (PubChem CID 70464957) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
PubChem CID70464957
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
SMILESCC(C)(CCC(C)(CCCC(=O)O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H26O5/c1-17(2,16(22)23)11-12-18(3,10-4-5-15(20)21)13-6-8-14(19)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyLGBHZVUQDDAUMO-UHFFFAOYSA-N
XLogP3.80
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
5-(2,5-dihydroxyphenyl)-5-methylnonanedioic acid
CID 88631936
5-methyl-5,7-diphenylheptanoic acid
CID 148740605
2,2-bis(4-hydroxyphenyl)nonanedioic acid
CID 68957715
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid
CID 138723448
methyl 5-(4-hydroxyphenyl)-5,7,7-trimethyloctanoate
CID 19864942
2,2-dimethyloctanedioic acid
CID 21225473
2,2-dimethylicosanedioic acid
CID 87760954
bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
CID 66701484
6-(4-hydroxyphenyl)-6-methylheptan-2-one
CID 19865043
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid?
The IUPAC name of 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid (CID 70464957) is 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid?
The canonical SMILES for 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid is CC(C)(CCC(C)(CCCC(=O)O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid?
The InChIKey is LGBHZVUQDDAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-17(2,16(22)23)11-12-18(3,10-4-5-15(20)21)13-6-8-14(19)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid?
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid has a molecular weight of 322.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid is sourced from PubChem (CID 70464957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).