[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate

C15H17O5P — CID 144822987

IUPAC[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OCc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H17O5P/c1-18-21(17,19-2)20-11-12-4-3-5-14(10-12)13-6-8-15(16)9-7-13/h3-10,16H,11H2,1-2H3
InChIKeyVQYGTKOAHBGTGU-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.98
Rot. Bonds6

About [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate

[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate (PubChem CID 144822987) has the molecular formula C15H17O5P and a molecular weight of 308.27 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate
PubChem CID144822987
Molecular FormulaC15H17O5P
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OCc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H17O5P/c1-18-21(17,19-2)20-11-12-4-3-5-14(10-12)13-6-8-15(16)9-7-13/h3-10,16H,11H2,1-2H3
InChIKeyVQYGTKOAHBGTGU-UHFFFAOYSA-N
XLogP3.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
4-(3-benzylphenyl)phenol
CID 101277658
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
4-[3,5-bis(2-dimethoxyphosphorylethyl)phenyl]phenol
CID 155789701
[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium
CID 58907470
benzyl ethyl methyl phosphate
CID 152677778
N-[[3-(4-hydroxyphenyl)phenyl]methyl]formamide
CID 144526054
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7209518
4-(3-ethylphenyl)benzamide
CID 54454087
[1-hydroxy-2-[3-(4-methoxyphenyl)phenyl]-1-phosphonoethyl]phosphonic acid
CID 5277489
methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
CID 10447048

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate?
The IUPAC name of [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate (CID 144822987) is [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate.
What is the SMILES notation for [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate?
The canonical SMILES for [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate is COP(=O)(OC)OCc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate?
The InChIKey is VQYGTKOAHBGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O5P/c1-18-21(17,19-2)20-11-12-4-3-5-14(10-12)13-6-8-15(16)9-7-13/h3-10,16H,11H2,1-2H3.
What are the key properties of [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate?
[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate has a molecular weight of 308.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate is sourced from PubChem (CID 144822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).