3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol

C19H19NO3 — CID 168595473

IUPAC3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NO3/c21-13-17(22)12-20-16-6-9-18(10-7-16)23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,17,20-22H,12-13H2
InChIKeyWYTNQUOEWGFOOC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds6

About 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol

3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol (PubChem CID 168595473) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
PubChem CID168595473
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NO3/c21-13-17(22)12-20-16-6-9-18(10-7-16)23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,17,20-22H,12-13H2
InChIKeyWYTNQUOEWGFOOC-UHFFFAOYSA-N
XLogP3.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol
CID 168596365
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzene-1,2-dicarbonitrile
CID 168594427
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzoic acid
CID 168594183
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
5-(2,3-dihydroxypropylamino)-2-naphthalen-2-ylisoindole-1,3-dione
CID 168595106
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
3-(4-butan-2-yloxyanilino)propane-1,2-diol
CID 168593444
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene
CID 161131721
3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
CID 168594472
3-(4-indol-1-ylanilino)propane-1,2-diol
CID 168596516
4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
CID 168597138

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The IUPAC name of 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol (CID 168595473) is 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol is OCC(O)CNc1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The InChIKey is WYTNQUOEWGFOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-13-17(22)12-20-16-6-9-18(10-7-16)23-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,17,20-22H,12-13H2.
What are the key properties of 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol?
3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol has a molecular weight of 309.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol is sourced from PubChem (CID 168595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).