[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate

C18H23O5P — CID 67041718

IUPAC[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate
SMILESCc1cc(OP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C18H23O5P/c1-11(2)16-9-14(5-6-18(16)19)10-17-12(3)7-15(8-13(17)4)23-24(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22)
InChIKeySSKKCDSPKAAEKT-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.19
Rot. Bonds5

About [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate

[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate (PubChem CID 67041718) has the molecular formula C18H23O5P and a molecular weight of 350.35 g/mol. Its IUPAC name is [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate
PubChem CID67041718
Molecular FormulaC18H23O5P
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate
SMILESCc1cc(OP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C18H23O5P/c1-11(2)16-9-14(5-6-18(16)19)10-17-12(3)7-15(8-13(17)4)23-24(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22)
InChIKeySSKKCDSPKAAEKT-UHFFFAOYSA-N
XLogP4.19
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dichlorophosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 162464815
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylanilino]methylphosphonic acid
CID 15942413
fluoromethyl-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methyl]phosphinic acid
CID 15941716
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]butan-2-one
CID 159245963
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]sulfonylmethylphosphonic acid
CID 15942558
N-ethyl-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
CID 134249644
1-amino-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]propan-2-one
CID 159565620
[2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid
CID 68954892
4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 67041844
[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]-difluoromethyl]phosphonic acid
CID 143340161
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-enylacetamide
CID 134249295
propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
CID 122498822

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate?
The IUPAC name of [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate (CID 67041718) is [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate.
What is the SMILES notation for [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate?
The canonical SMILES for [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate is Cc1cc(OP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate?
The InChIKey is SSKKCDSPKAAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O5P/c1-11(2)16-9-14(5-6-18(16)19)10-17-12(3)7-15(8-13(17)4)23-24(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22).
What are the key properties of [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate?
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate has a molecular weight of 350.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate is sourced from PubChem (CID 67041718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).