anthracen-1-ylmethyl(ethoxy)phosphinic acid

C17H17O3P — CID 141159186

IUPACanthracen-1-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H17O3P/c1-2-20-21(18,19)12-16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyJNNYLLBUKNDRSI-UHFFFAOYSA-N
MW300.29 g/mol
LogP4.71
Rot. Bonds4

About anthracen-1-ylmethyl(ethoxy)phosphinic acid

anthracen-1-ylmethyl(ethoxy)phosphinic acid (PubChem CID 141159186) has the molecular formula C17H17O3P and a molecular weight of 300.29 g/mol. Its IUPAC name is anthracen-1-ylmethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameanthracen-1-ylmethyl(ethoxy)phosphinic acid
PubChem CID141159186
Molecular FormulaC17H17O3P
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Nameanthracen-1-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H17O3P/c1-2-20-21(18,19)12-16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyJNNYLLBUKNDRSI-UHFFFAOYSA-N
XLogP4.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of anthracen-1-ylmethyl(ethoxy)phosphinic acid?
The IUPAC name of anthracen-1-ylmethyl(ethoxy)phosphinic acid (CID 141159186) is anthracen-1-ylmethyl(ethoxy)phosphinic acid.
What is the SMILES notation for anthracen-1-ylmethyl(ethoxy)phosphinic acid?
The canonical SMILES for anthracen-1-ylmethyl(ethoxy)phosphinic acid is CCOP(=O)(O)Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-ylmethyl(ethoxy)phosphinic acid?
The InChIKey is JNNYLLBUKNDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O3P/c1-2-20-21(18,19)12-16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of anthracen-1-ylmethyl(ethoxy)phosphinic acid?
anthracen-1-ylmethyl(ethoxy)phosphinic acid has a molecular weight of 300.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ylmethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 141159186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).