(4-propan-2-ylphenyl) propyl hydrogen phosphate

C12H19O4P — CID 175182097

IUPAC(4-propan-2-ylphenyl) propyl hydrogen phosphate
SMILESCCCOP(=O)(O)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19O4P/c1-4-9-15-17(13,14)16-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,14)
InChIKeyUKACPDHRVVSOKX-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.72
Rot. Bonds6

About (4-propan-2-ylphenyl) propyl hydrogen phosphate

(4-propan-2-ylphenyl) propyl hydrogen phosphate (PubChem CID 175182097) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) propyl hydrogen phosphate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) propyl hydrogen phosphate
PubChem CID175182097
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name(4-propan-2-ylphenyl) propyl hydrogen phosphate
SMILESCCCOP(=O)(O)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19O4P/c1-4-9-15-17(13,14)16-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,14)
InChIKeyUKACPDHRVVSOKX-UHFFFAOYSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
CID 174297750
(4-methylphenyl) 2-methylpropyl hydrogen phosphate
CID 175181889
hexyl phenyl hydrogen phosphate
CID 66863526
[hydroxy-(4-propan-2-ylphenoxy)phosphoryl] benzoate
CID 175426192
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
CID 173440052
sodium [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate
CID 54607997
bis[4-[butoxy(phenyl)methyl]phenyl] hydrogen phosphate
CID 21401943
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) propyl hydrogen phosphate?
The IUPAC name of (4-propan-2-ylphenyl) propyl hydrogen phosphate (CID 175182097) is (4-propan-2-ylphenyl) propyl hydrogen phosphate.
What is the SMILES notation for (4-propan-2-ylphenyl) propyl hydrogen phosphate?
The canonical SMILES for (4-propan-2-ylphenyl) propyl hydrogen phosphate is CCCOP(=O)(O)Oc1ccc(C(C)C)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) propyl hydrogen phosphate?
The InChIKey is UKACPDHRVVSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-4-9-15-17(13,14)16-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,14).
What are the key properties of (4-propan-2-ylphenyl) propyl hydrogen phosphate?
(4-propan-2-ylphenyl) propyl hydrogen phosphate has a molecular weight of 258.25 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) propyl hydrogen phosphate is sourced from PubChem (CID 175182097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).