hydroxy phenyl hydrogen phosphate

C6H7O5P — CID 19103302

IUPAChydroxy phenyl hydrogen phosphate
SMILESO=P(O)(OO)Oc1ccccc1
InChIInChI=1S/C6H7O5P/c7-11-12(8,9)10-6-4-2-1-3-5-6/h1-5,7H,(H,8,9)
InChIKeyXZSQWMVRHAYHRX-UHFFFAOYSA-N
MW190.09 g/mol
LogP1.66
Rot. Bonds3

About hydroxy phenyl hydrogen phosphate

hydroxy phenyl hydrogen phosphate (PubChem CID 19103302) has the molecular formula C6H7O5P and a molecular weight of 190.09 g/mol. Its IUPAC name is hydroxy phenyl hydrogen phosphate.

Molecular Properties

Compound Namehydroxy phenyl hydrogen phosphate
PubChem CID19103302
Molecular FormulaC6H7O5P
Molecular Weight190.09 g/mol
Exact Mass190.00
IUPAC Namehydroxy phenyl hydrogen phosphate
SMILESO=P(O)(OO)Oc1ccccc1
InChIInChI=1S/C6H7O5P/c7-11-12(8,9)10-6-4-2-1-3-5-6/h1-5,7H,(H,8,9)
InChIKeyXZSQWMVRHAYHRX-UHFFFAOYSA-N
XLogP1.66
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
methane;phenyl phosphono hydrogen phosphate
CID 88820079
phenoxy phenyl hydrogen phosphate
CID 172853202
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
CID 131875092
CID 131875092
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807

Frequently Asked Questions

What is the IUPAC name of hydroxy phenyl hydrogen phosphate?
The IUPAC name of hydroxy phenyl hydrogen phosphate (CID 19103302) is hydroxy phenyl hydrogen phosphate.
What is the SMILES notation for hydroxy phenyl hydrogen phosphate?
The canonical SMILES for hydroxy phenyl hydrogen phosphate is O=P(O)(OO)Oc1ccccc1.
What is the InChIKey of hydroxy phenyl hydrogen phosphate?
The InChIKey is XZSQWMVRHAYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O5P/c7-11-12(8,9)10-6-4-2-1-3-5-6/h1-5,7H,(H,8,9).
What are the key properties of hydroxy phenyl hydrogen phosphate?
hydroxy phenyl hydrogen phosphate has a molecular weight of 190.09 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy phenyl hydrogen phosphate is sourced from PubChem (CID 19103302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).