1-(diethoxyphosphorylmethyl)phenanthrene

C19H21O3P — CID 141159184

IUPAC1-(diethoxyphosphorylmethyl)phenanthrene
SMILESCCOP(=O)(Cc1cccc2c1ccc1ccccc12)OCC
InChIInChI=1S/C19H21O3P/c1-3-21-23(20,22-4-2)14-16-9-7-11-19-17-10-6-5-8-15(17)12-13-18(16)19/h5-13H,3-4,14H2,1-2H3
InChIKeyJCQWZPFJLDZWTG-UHFFFAOYSA-N
MW328.35 g/mol
LogP5.76
Rot. Bonds6

About 1-(diethoxyphosphorylmethyl)phenanthrene

1-(diethoxyphosphorylmethyl)phenanthrene (PubChem CID 141159184) has the molecular formula C19H21O3P and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)phenanthrene.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)phenanthrene
PubChem CID141159184
Molecular FormulaC19H21O3P
Molecular Weight328.35 g/mol
Exact Mass328.12
IUPAC Name1-(diethoxyphosphorylmethyl)phenanthrene
SMILESCCOP(=O)(Cc1cccc2c1ccc1ccccc12)OCC
InChIInChI=1S/C19H21O3P/c1-3-21-23(20,22-4-2)14-16-9-7-11-19-17-10-6-5-8-15(17)12-13-18(16)19/h5-13H,3-4,14H2,1-2H3
InChIKeyJCQWZPFJLDZWTG-UHFFFAOYSA-N
XLogP5.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[8-(diethoxyphosphorylmethyl)pyren-4-yl]oxyethanol
CID 87175528
ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
CID 87175744
1-(diethoxyphosphorylmethyl)-2-isocyanobenzene
CID 11436695
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147
1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
CID 87175437
2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
CID 152783662
methyl 2-(diethoxyphosphorylmethyl)benzenesulfonate
CID 156768430
CID 141440923
CID 141440923
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
phenanthren-1-ylmethanethiol
CID 57464699
1-ethoxyphenanthrene
CID 19828992

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)phenanthrene?
The IUPAC name of 1-(diethoxyphosphorylmethyl)phenanthrene (CID 141159184) is 1-(diethoxyphosphorylmethyl)phenanthrene.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)phenanthrene?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)phenanthrene is CCOP(=O)(Cc1cccc2c1ccc1ccccc12)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)phenanthrene?
The InChIKey is JCQWZPFJLDZWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O3P/c1-3-21-23(20,22-4-2)14-16-9-7-11-19-17-10-6-5-8-15(17)12-13-18(16)19/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)phenanthrene?
1-(diethoxyphosphorylmethyl)phenanthrene has a molecular weight of 328.35 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)phenanthrene is sourced from PubChem (CID 141159184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).