(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid

C18H19O4P — CID 150393401

IUPAC(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid
SMILESCC(C)Oc1c(CP(=O)(O)O)ccc2cc3ccccc3cc12
InChIInChI=1S/C18H19O4P/c1-12(2)22-18-16(11-23(19,20)21)8-7-15-9-13-5-3-4-6-14(13)10-17(15)18/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyHCENRYILUMLVRP-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.46
Rot. Bonds4

About (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid

(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid (PubChem CID 150393401) has the molecular formula C18H19O4P and a molecular weight of 330.32 g/mol. Its IUPAC name is (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid.

Molecular Properties

Compound Name(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid
PubChem CID150393401
Molecular FormulaC18H19O4P
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid
SMILESCC(C)Oc1c(CP(=O)(O)O)ccc2cc3ccccc3cc12
InChIInChI=1S/C18H19O4P/c1-12(2)22-18-16(11-23(19,20)21)8-7-15-9-13-5-3-4-6-14(13)10-17(15)18/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyHCENRYILUMLVRP-UHFFFAOYSA-N
XLogP4.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(1-butan-2-ylanthracen-2-yl)methylphosphonic acid
CID 151416779
1,2-di(propan-2-yloxy)anthracene
CID 174565596
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
9-propan-2-yloxyanthracene
CID 13287348
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
naphthalen-2-ylmethylphosphonic acid
CID 3696145
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
1,2-diethylanthracene
CID 19372429
(2-ethoxyanthracen-1-yl)phosphonic acid
CID 152670322
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
[2,3-dihydroxy-4-(phosphonomethyl)phenyl]methylphosphonic acid
CID 102313715

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid?
The IUPAC name of (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid (CID 150393401) is (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid.
What is the SMILES notation for (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid?
The canonical SMILES for (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid is CC(C)Oc1c(CP(=O)(O)O)ccc2cc3ccccc3cc12.
What is the InChIKey of (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid?
The InChIKey is HCENRYILUMLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O4P/c1-12(2)22-18-16(11-23(19,20)21)8-7-15-9-13-5-3-4-6-14(13)10-17(15)18/h3-10,12H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid?
(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid has a molecular weight of 330.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid is sourced from PubChem (CID 150393401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).