phosphoric acid;prop-2-enoxybenzene

C9H13O5P — CID 66665136

IUPACphosphoric acid;prop-2-enoxybenzene
SMILESC=CCOc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C9H10O.H3O4P/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h2-7H,1,8H2;(H3,1,2,3,4)
InChIKeyJXDYDLGXORIRGR-UHFFFAOYSA-N
MW232.17 g/mol
LogP1.32
Rot. Bonds3

About phosphoric acid;prop-2-enoxybenzene

phosphoric acid;prop-2-enoxybenzene (PubChem CID 66665136) has the molecular formula C9H13O5P and a molecular weight of 232.17 g/mol. Its IUPAC name is phosphoric acid;prop-2-enoxybenzene.

Molecular Properties

Compound Namephosphoric acid;prop-2-enoxybenzene
PubChem CID66665136
Molecular FormulaC9H13O5P
Molecular Weight232.17 g/mol
Exact Mass232.05
IUPAC Namephosphoric acid;prop-2-enoxybenzene
SMILESC=CCOc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C9H10O.H3O4P/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h2-7H,1,8H2;(H3,1,2,3,4)
InChIKeyJXDYDLGXORIRGR-UHFFFAOYSA-N
XLogP1.32
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phosphoric acid;prop-2-enoxybenzene 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

oxirane;phosphoric acid;prop-2-enoxybenzene
CID 174439395
CID 174846151
CID 174846151
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
CID 141391310
phenol;4-prop-2-enoxyphenol
CID 70303777
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
sodium;prop-2-enoxybenzene;2-sulfoacetate
CID 134278126
phenyl phosphono prop-2-enyl phosphate
CID 88721079
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
methylcyclohexane;prop-2-enoxybenzene
CID 144583061
1-phenoxypent-4-en-2-one
CID 62716371
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;prop-2-enoxybenzene?
The IUPAC name of phosphoric acid;prop-2-enoxybenzene (CID 66665136) is phosphoric acid;prop-2-enoxybenzene.
What is the SMILES notation for phosphoric acid;prop-2-enoxybenzene?
The canonical SMILES for phosphoric acid;prop-2-enoxybenzene is C=CCOc1ccccc1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;prop-2-enoxybenzene?
The InChIKey is JXDYDLGXORIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.H3O4P/c1-2-8-10-9-6-4-3-5-7-9;1-5(2,3)4/h2-7H,1,8H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;prop-2-enoxybenzene?
phosphoric acid;prop-2-enoxybenzene has a molecular weight of 232.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;prop-2-enoxybenzene is sourced from PubChem (CID 66665136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).