(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium

C23H20O2P+ — CID 175519096

IUPAC(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium
SMILESC[P+](Oc1c(O)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)25-23-21-15-9-8-10-18(21)16-17-22(23)24/h2-17H,1H3/p+1
InChIKeyHWNFXXTWSHKICT-UHFFFAOYSA-O
MW359.39 g/mol
LogP5.14
Rot. Bonds4

About (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium

(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium (PubChem CID 175519096) has the molecular formula C23H20O2P+ and a molecular weight of 359.39 g/mol. Its IUPAC name is (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium.

Molecular Properties

Compound Name(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium
PubChem CID175519096
Molecular FormulaC23H20O2P+
Molecular Weight359.39 g/mol
Exact Mass359.12
IUPAC Name(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium
SMILESC[P+](Oc1c(O)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)25-23-21-15-9-8-10-18(21)16-17-22(23)24/h2-17H,1H3/p+1
InChIKeyHWNFXXTWSHKICT-UHFFFAOYSA-O
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
1-phenoxynaphthalen-2-ol
CID 5271325
2-methylpropane;naphthalene-1,4-diol
CID 144756444
(2-hydroxynaphthalen-1-yl)oxyboronic acid
CID 54264761
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
CID 91550441
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
2-propan-2-yloxynaphthalen-1-ol
CID 23272530

Frequently Asked Questions

What is the IUPAC name of (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium?
The IUPAC name of (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium (CID 175519096) is (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium.
What is the SMILES notation for (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium?
The canonical SMILES for (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium is C[P+](Oc1c(O)ccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium?
The InChIKey is HWNFXXTWSHKICT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H19O2P/c1-26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)25-23-21-15-9-8-10-18(21)16-17-22(23)24/h2-17H,1H3/p+1.
What are the key properties of (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium?
(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium has a molecular weight of 359.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium is sourced from PubChem (CID 175519096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).