(4-methylphenyl) dihydrogen phosphate;1,2-xylene

C15H19O4P — CID 175436066

IUPAC(4-methylphenyl) dihydrogen phosphate;1,2-xylene
SMILESCc1ccc(OP(=O)(O)O)cc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H9O4P/c1-7-5-3-4-6-8(7)2;1-6-2-4-7(5-3-6)11-12(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H2,8,9,10)
InChIKeyVDFYJSINQFBRRF-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.77
Rot. Bonds2

About (4-methylphenyl) dihydrogen phosphate;1,2-xylene

(4-methylphenyl) dihydrogen phosphate;1,2-xylene (PubChem CID 175436066) has the molecular formula C15H19O4P and a molecular weight of 294.29 g/mol. Its IUPAC name is (4-methylphenyl) dihydrogen phosphate;1,2-xylene.

Molecular Properties

Compound Name(4-methylphenyl) dihydrogen phosphate;1,2-xylene
PubChem CID175436066
Molecular FormulaC15H19O4P
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name(4-methylphenyl) dihydrogen phosphate;1,2-xylene
SMILESCc1ccc(OP(=O)(O)O)cc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C7H9O4P/c1-7-5-3-4-6-8(7)2;1-6-2-4-7(5-3-6)11-12(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H2,8,9,10)
InChIKeyVDFYJSINQFBRRF-UHFFFAOYSA-N
XLogP3.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylphenyl)phenyl] dihydrogen phosphate
CID 141033820
2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate
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(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
CID 131875092
CID 131875092
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline
CID 139079164
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
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[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
CID 140973737
CID 67928069
CID 67928069

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) dihydrogen phosphate;1,2-xylene?
The IUPAC name of (4-methylphenyl) dihydrogen phosphate;1,2-xylene (CID 175436066) is (4-methylphenyl) dihydrogen phosphate;1,2-xylene.
What is the SMILES notation for (4-methylphenyl) dihydrogen phosphate;1,2-xylene?
The canonical SMILES for (4-methylphenyl) dihydrogen phosphate;1,2-xylene is Cc1ccc(OP(=O)(O)O)cc1.Cc1ccccc1C.
What is the InChIKey of (4-methylphenyl) dihydrogen phosphate;1,2-xylene?
The InChIKey is VDFYJSINQFBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9O4P/c1-7-5-3-4-6-8(7)2;1-6-2-4-7(5-3-6)11-12(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H2,8,9,10).
What are the key properties of (4-methylphenyl) dihydrogen phosphate;1,2-xylene?
(4-methylphenyl) dihydrogen phosphate;1,2-xylene has a molecular weight of 294.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) dihydrogen phosphate;1,2-xylene is sourced from PubChem (CID 175436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).