anthracen-9-ylmethyl(ethoxy)phosphinic acid

C17H17O3P — CID 87175463

IUPACanthracen-9-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17O3P/c1-2-20-21(18,19)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIWQBBAGODHIDOD-UHFFFAOYSA-N
MW300.29 g/mol
LogP4.71
Rot. Bonds4

About anthracen-9-ylmethyl(ethoxy)phosphinic acid

anthracen-9-ylmethyl(ethoxy)phosphinic acid (PubChem CID 87175463) has the molecular formula C17H17O3P and a molecular weight of 300.29 g/mol. Its IUPAC name is anthracen-9-ylmethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameanthracen-9-ylmethyl(ethoxy)phosphinic acid
PubChem CID87175463
Molecular FormulaC17H17O3P
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Nameanthracen-9-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17O3P/c1-2-20-21(18,19)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIWQBBAGODHIDOD-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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Related Compounds

anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899
tetrakis(9-(diethoxyphosphorylmethyl)anthracene);dysprosium(3+);trifluoromethanesulfonate;dinitrate
CID 139188502
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928
[3,5-bis[[ethoxy(hydroxy)phosphoryl]methyl]-2,4,6-trimethylphenyl]methyl-ethoxyphosphinic acid
CID 58708701
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
anthracen-9-ylmethyl-ethoxy-oxophosphanium
CID 89327520
butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
CID 87175695
ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
CID 87885614
(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
CID 118483625
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl(ethoxy)phosphinic acid?
The IUPAC name of anthracen-9-ylmethyl(ethoxy)phosphinic acid (CID 87175463) is anthracen-9-ylmethyl(ethoxy)phosphinic acid.
What is the SMILES notation for anthracen-9-ylmethyl(ethoxy)phosphinic acid?
The canonical SMILES for anthracen-9-ylmethyl(ethoxy)phosphinic acid is CCOP(=O)(O)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl(ethoxy)phosphinic acid?
The InChIKey is IWQBBAGODHIDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O3P/c1-2-20-21(18,19)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of anthracen-9-ylmethyl(ethoxy)phosphinic acid?
anthracen-9-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-9-ylmethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 87175463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).