(4-methoxycyclohexyl)phosphonic acid

C7H15O4P — CID 163572342

IUPAC(4-methoxycyclohexyl)phosphonic acid
SMILESCOC1CCC(P(=O)(O)O)CC1
InChIInChI=1S/C7H15O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyGAMAZXUFLYJCBP-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.12
Rot. Bonds2

About (4-methoxycyclohexyl)phosphonic acid

(4-methoxycyclohexyl)phosphonic acid (PubChem CID 163572342) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is (4-methoxycyclohexyl)phosphonic acid.

Molecular Properties

Compound Name(4-methoxycyclohexyl)phosphonic acid
PubChem CID163572342
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name(4-methoxycyclohexyl)phosphonic acid
SMILESCOC1CCC(P(=O)(O)O)CC1
InChIInChI=1S/C7H15O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyGAMAZXUFLYJCBP-UHFFFAOYSA-N
XLogP1.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)phosphonic acid?
The IUPAC name of (4-methoxycyclohexyl)phosphonic acid (CID 163572342) is (4-methoxycyclohexyl)phosphonic acid.
What is the SMILES notation for (4-methoxycyclohexyl)phosphonic acid?
The canonical SMILES for (4-methoxycyclohexyl)phosphonic acid is COC1CCC(P(=O)(O)O)CC1.
What is the InChIKey of (4-methoxycyclohexyl)phosphonic acid?
The InChIKey is GAMAZXUFLYJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of (4-methoxycyclohexyl)phosphonic acid?
(4-methoxycyclohexyl)phosphonic acid has a molecular weight of 194.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)phosphonic acid is sourced from PubChem (CID 163572342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).