2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate

C10H13O7P — CID 161397603

IUPAC2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate
SMILESC=C(C)C(=O)O.O=P(O)(O)OOc1ccccc1
InChIInChI=1S/C6H7O5P.C4H6O2/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H,(H2,7,8,9);1H2,2H3,(H,5,6)
InChIKeyVTUQPUDUFVDYIU-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.74
Rot. Bonds4

About 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate

2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate (PubChem CID 161397603) has the molecular formula C10H13O7P and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate
PubChem CID161397603
Molecular FormulaC10H13O7P
Molecular Weight276.18 g/mol
Exact Mass276.04
IUPAC Name2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate
SMILESC=C(C)C(=O)O.O=P(O)(O)OOc1ccccc1
InChIInChI=1S/C6H7O5P.C4H6O2/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H,(H2,7,8,9);1H2,2H3,(H,5,6)
InChIKeyVTUQPUDUFVDYIU-UHFFFAOYSA-N
XLogP1.74
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenoxy phenyl hydrogen phosphate
CID 172853202
biphenylene;2-methylprop-2-enoic acid
CID 174864090
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
CID 70555588
(3-hydroxyphenoxy) dihydrogen phosphate
CID 150935561
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
diaminophosphorylperoxybenzene
CID 172833248
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate?
The IUPAC name of 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate (CID 161397603) is 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate.
What is the SMILES notation for 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate?
The canonical SMILES for 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate is C=C(C)C(=O)O.O=P(O)(O)OOc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate?
The InChIKey is VTUQPUDUFVDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O5P.C4H6O2/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H,(H2,7,8,9);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate?
2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate has a molecular weight of 276.18 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate is sourced from PubChem (CID 161397603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).