ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid

C19H21O5P — CID 87175744

IUPACethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc2c1ccc1cc(OCCO)ccc12
InChIInChI=1S/C19H21O5P/c1-2-24-25(21,22)13-15-4-3-5-19-17-9-7-16(23-11-10-20)12-14(17)6-8-18(15)19/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyHHPBQKQEUMYXJK-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.09
Rot. Bonds7

About ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid

ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid (PubChem CID 87175744) has the molecular formula C19H21O5P and a molecular weight of 360.35 g/mol. Its IUPAC name is ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
PubChem CID87175744
Molecular FormulaC19H21O5P
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Nameethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1cccc2c1ccc1cc(OCCO)ccc12
InChIInChI=1S/C19H21O5P/c1-2-24-25(21,22)13-15-4-3-5-19-17-9-7-16(23-11-10-20)12-14(17)6-8-18(15)19/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyHHPBQKQEUMYXJK-UHFFFAOYSA-N
XLogP4.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87175635
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
1-(diethoxyphosphorylmethyl)phenanthrene
CID 141159184
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
CID 118483625
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147
[2,5-bis(2-hydroxyethoxy)phenyl]methyl-butan-2-yloxyphosphinic acid
CID 87176033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-butylnaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90397788
2-phenanthren-2-yloxyethyl 2-methylpropanoate
CID 130451688
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid (CID 87175744) is ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid is CCOP(=O)(O)Cc1cccc2c1ccc1cc(OCCO)ccc12.
What is the InChIKey of ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid?
The InChIKey is HHPBQKQEUMYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O5P/c1-2-24-25(21,22)13-15-4-3-5-19-17-9-7-16(23-11-10-20)12-14(17)6-8-18(15)19/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22).
What are the key properties of ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid?
ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid has a molecular weight of 360.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[7-(2-hydroxyethoxy)phenanthren-1-yl]methyl]phosphinic acid is sourced from PubChem (CID 87175744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).