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

C15H19O4P — CID 175436066

IUPAC(4-methylphenyl) dihydrogen phosphate;1,2-xylene
SMILESCC1=CC=C(C=C1)OP(=O)(O)O.CC1=CC=CC=C1C
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
MW294.28 g/mol
LogP—
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 294.28 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 Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(4-methylphenyl) dihydrogen phosphate;1,2-xylene
SMILESCC1=CC=C(C=C1)OP(=O)(O)O.CC1=CC=CC=C1C
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
XLogP—
TPSA66.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl diphenyl phosphate
CID 14716
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Tri-p-cresyl phosphate
CID 6529
Fosfestrol
CID 3032325
Tri-m-cresyl phosphate
CID 11232
Monocresyl diphenyl phosphate
CID 6528
Tris(nonylphenyl)phosphite
CID 76452
Trixylenyl phosphate
CID 19736
Tris(p-t-butylphenyl) phosphate
CID 6530
Bis(isopropylphenyl) phenyl phosphate
CID 34149
p-tert-Butylphenyl diphenyl phosphate
CID 70425

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 CC1=CC=C(C=C1)OP(=O)(O)O.CC1=CC=CC=C1C.
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 294.28 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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).