(2-hydroxy-5-methylphenyl) diphenyl phosphate

C19H17O5P — CID 13272252

IUPAC(2-hydroxy-5-methylphenyl) diphenyl phosphate
SMILESCc1ccc(O)c(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H17O5P/c1-15-12-13-18(20)19(14-15)24-25(21,22-16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-14,20H,1H3
InChIKeyZDHFFVUOEZPFLQ-UHFFFAOYSA-N
MW356.31 g/mol
LogP5.35
Rot. Bonds6

About (2-hydroxy-5-methylphenyl) diphenyl phosphate

(2-hydroxy-5-methylphenyl) diphenyl phosphate (PubChem CID 13272252) has the molecular formula C19H17O5P and a molecular weight of 356.31 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl) diphenyl phosphate.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl) diphenyl phosphate
PubChem CID13272252
Molecular FormulaC19H17O5P
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC Name(2-hydroxy-5-methylphenyl) diphenyl phosphate
SMILESCc1ccc(O)c(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H17O5P/c1-15-12-13-18(20)19(14-15)24-25(21,22-16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-14,20H,1H3
InChIKeyZDHFFVUOEZPFLQ-UHFFFAOYSA-N
XLogP5.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.31
LogP ≤ 55.35
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

(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
bis(2-methylphenyl) phenyl phosphate
CID 14618640
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838
2-methylpropane;triphenyl phosphate
CID 91193965
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl) diphenyl phosphate?
The IUPAC name of (2-hydroxy-5-methylphenyl) diphenyl phosphate (CID 13272252) is (2-hydroxy-5-methylphenyl) diphenyl phosphate.
What is the SMILES notation for (2-hydroxy-5-methylphenyl) diphenyl phosphate?
The canonical SMILES for (2-hydroxy-5-methylphenyl) diphenyl phosphate is Cc1ccc(O)c(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl) diphenyl phosphate?
The InChIKey is ZDHFFVUOEZPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O5P/c1-15-12-13-18(20)19(14-15)24-25(21,22-16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-14,20H,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl) diphenyl phosphate?
(2-hydroxy-5-methylphenyl) diphenyl phosphate has a molecular weight of 356.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl) diphenyl phosphate is sourced from PubChem (CID 13272252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).