[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid

C17H14Cl2NO5P — CID 11998226

IUPAC[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid
SMILESO=P(O)(O)CNc1cc(Cl)c(Oc2ccc(O)c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H14Cl2NO5P/c18-13-7-10(20-9-26(22,23)24)8-14(19)17(13)25-16-6-5-15(21)11-3-1-2-4-12(11)16/h1-8,20-21H,9H2,(H2,22,23,24)
InChIKeyIHHZMPLMZDYYCG-UHFFFAOYSA-N
MW414.18 g/mol
LogP5.19
Rot. Bonds5

About [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid

[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid (PubChem CID 11998226) has the molecular formula C17H14Cl2NO5P and a molecular weight of 414.18 g/mol. Its IUPAC name is [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid.

Molecular Properties

Compound Name[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid
PubChem CID11998226
Molecular FormulaC17H14Cl2NO5P
Molecular Weight414.18 g/mol
Exact Mass413.00
IUPAC Name[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid
SMILESO=P(O)(O)CNc1cc(Cl)c(Oc2ccc(O)c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H14Cl2NO5P/c18-13-7-10(20-9-26(22,23)24)8-14(19)17(13)25-16-6-5-15(21)11-3-1-2-4-12(11)16/h1-8,20-21H,9H2,(H2,22,23,24)
InChIKeyIHHZMPLMZDYYCG-UHFFFAOYSA-N
XLogP5.19
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.18
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-1-yloxynaphthalen-1-ol
CID 69008300
N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
CID 539400
[3,5-dibromo-4-(4-hydroxy-2-methyl-3-propan-2-ylphenoxy)anilino]methyl-methoxyphosphinic acid
CID 129060871
2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide
CID 19073020
[3,5-dichloro-4-(4-hydroxy-2-propan-2-ylphenoxy)phenoxy]methylphosphonic acid
CID 141114258
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-(2-methoxyphenyl)acetamide
CID 23792360
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
CID 162650394
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid?
The IUPAC name of [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid (CID 11998226) is [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid.
What is the SMILES notation for [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid?
The canonical SMILES for [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid is O=P(O)(O)CNc1cc(Cl)c(Oc2ccc(O)c3ccccc23)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid?
The InChIKey is IHHZMPLMZDYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2NO5P/c18-13-7-10(20-9-26(22,23)24)8-14(19)17(13)25-16-6-5-15(21)11-3-1-2-4-12(11)16/h1-8,20-21H,9H2,(H2,22,23,24).
What are the key properties of [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid?
[3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid has a molecular weight of 414.18 g/mol, XLogP of 5.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(4-hydroxynaphthalen-1-yl)oxyanilino]methylphosphonic acid is sourced from PubChem (CID 11998226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).