(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate

C24H19O6P — CID 10003019

IUPAC(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H19O6P/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(30-31(27,28)29)20(22)17-12-6-2-7-13-17/h1-15,25-26H,(H2,27,28,29)
InChIKeyDLMMLEPDTTYYRY-UHFFFAOYSA-N
MW434.38 g/mol
LogP5.57
Rot. Bonds5

About (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate

(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate (PubChem CID 10003019) has the molecular formula C24H19O6P and a molecular weight of 434.38 g/mol. Its IUPAC name is (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
PubChem CID10003019
Molecular FormulaC24H19O6P
Molecular Weight434.38 g/mol
Exact Mass434.09
IUPAC Name(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H19O6P/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(30-31(27,28)29)20(22)17-12-6-2-7-13-17/h1-15,25-26H,(H2,27,28,29)
InChIKeyDLMMLEPDTTYYRY-UHFFFAOYSA-N
XLogP5.57
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 55.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
CID 87386590
(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
CID 141077100
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
CID 131875092
CID 131875092
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
CID 150021932
(2-benzyl-6-phenylphenyl) dihydrogen phosphate
CID 141022592
(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid
CID 69204256
4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
CID 158101675
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate?
The IUPAC name of (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate (CID 10003019) is (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate.
What is the SMILES notation for (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate?
The canonical SMILES for (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1c(-c2ccccc2)c(O)c(-c2ccccc2)c(O)c1-c1ccccc1.
What is the InChIKey of (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate?
The InChIKey is DLMMLEPDTTYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O6P/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(30-31(27,28)29)20(22)17-12-6-2-7-13-17/h1-15,25-26H,(H2,27,28,29).
What are the key properties of (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate?
(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate has a molecular weight of 434.38 g/mol, XLogP of 5.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate is sourced from PubChem (CID 10003019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).