[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid

C14H23O4P — CID 88685317

IUPAC[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
SMILESCc1ccc(O)c(C(C)(C)CC(C)(C)P(=O)(O)O)c1
InChIInChI=1S/C14H23O4P/c1-10-6-7-12(15)11(8-10)13(2,3)9-14(4,5)19(16,17)18/h6-8,15H,9H2,1-5H3,(H2,16,17,18)
InChIKeyQVVKTRVTUDQHMD-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.32
Rot. Bonds4

About [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid

[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid (PubChem CID 88685317) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
PubChem CID88685317
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
SMILESCc1ccc(O)c(C(C)(C)CC(C)(C)P(=O)(O)O)c1
InChIInChI=1S/C14H23O4P/c1-10-6-7-12(15)11(8-10)13(2,3)9-14(4,5)19(16,17)18/h6-8,15H,9H2,1-5H3,(H2,16,17,18)
InChIKeyQVVKTRVTUDQHMD-UHFFFAOYSA-N
XLogP3.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
CID 174376372
CID 174376372
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;2-tert-butyl-4-methylphenol
CID 158733485
2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
CID 174723057
(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol
CID 57201454
[3-methyl-3-(5-methyl-2-trimethylsilyloxyphenyl)butyl]phosphonic acid
CID 19770472
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid?
The IUPAC name of [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid (CID 88685317) is [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid.
What is the SMILES notation for [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid?
The canonical SMILES for [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid is Cc1ccc(O)c(C(C)(C)CC(C)(C)P(=O)(O)O)c1.
What is the InChIKey of [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid?
The InChIKey is QVVKTRVTUDQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-10-6-7-12(15)11(8-10)13(2,3)9-14(4,5)19(16,17)18/h6-8,15H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid?
[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid has a molecular weight of 286.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid is sourced from PubChem (CID 88685317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).