(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate

C10H15O5P — CID 22952871

IUPAC(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCOc1cc(C(C)C)ccc1OP(=O)(O)O
InChIInChI=1S/C10H15O5P/c1-7(2)8-4-5-9(10(6-8)14-3)15-16(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyPWFZIPIJBKAVLK-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.29
Rot. Bonds4

About (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate

(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate (PubChem CID 22952871) has the molecular formula C10H15O5P and a molecular weight of 246.20 g/mol. Its IUPAC name is (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate
PubChem CID22952871
Molecular FormulaC10H15O5P
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Name(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCOc1cc(C(C)C)ccc1OP(=O)(O)O
InChIInChI=1S/C10H15O5P/c1-7(2)8-4-5-9(10(6-8)14-3)15-16(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyPWFZIPIJBKAVLK-UHFFFAOYSA-N
XLogP2.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
3-(3-methoxy-4-phosphonooxyphenyl)prop-2-enoic acid
CID 67184403
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate?
The IUPAC name of (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate (CID 22952871) is (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate is COc1cc(C(C)C)ccc1OP(=O)(O)O.
What is the InChIKey of (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate?
The InChIKey is PWFZIPIJBKAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O5P/c1-7(2)8-4-5-9(10(6-8)14-3)15-16(11,12)13/h4-7H,1-3H3,(H2,11,12,13).
What are the key properties of (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate?
(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate has a molecular weight of 246.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate is sourced from PubChem (CID 22952871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).