2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol

C15H17NO4 — CID 781693

IUPAC2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol
SMILESOCC(CO)(CO)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO4/c17-8-15(9-18,10-19)16-7-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-7,17-20H,8-10H2/b16-7+
InChIKeyFCOBRBNHDSNMTB-FRKPEAEDSA-N
MW275.30 g/mol
LogP0.68
Rot. Bonds5

About 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol

2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol (PubChem CID 781693) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol
PubChem CID781693
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol
SMILESOCC(CO)(CO)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO4/c17-8-15(9-18,10-19)16-7-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-7,17-20H,8-10H2/b16-7+
InChIKeyFCOBRBNHDSNMTB-FRKPEAEDSA-N
XLogP0.68
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyliminomethyl-naphthalen-2-ol
CID 598370
1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
2~3~-[(E)-(Hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-Terphenyl]-1~4~,2~4~,3~4~-Triol
CID 135567289
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
Alpha,alpha'-(ethylenedinitrilo)-bis-(1-methyl-2-naphthol)
CID 482314
2-Hydroxy-1-naphthaldehyde dimethylhydrazone
CID 135490277
5-(4-Hydroxy-1-naphthyl)-3,4-dihydroisoquinolin-8-ol
CID 136203744
Methyl 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetate
CID 135595490
2-Hydroxynaphthalene-1-carbaldehyde ((2-hydroxy-1-naphthyl)methylene)hydrazone
CID 75433
1-[(Hydroxyimino)methyl]naphthalen-2-ol
CID 345088
1-[[(2-Hydroxyphenyl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 274061
1-((Hydroxyimino)methyl)naphthalen-2-ol
CID 135441727

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol (CID 781693) is 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol is OCC(CO)(CO)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol?
The InChIKey is FCOBRBNHDSNMTB-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H17NO4/c17-8-15(9-18,10-19)16-7-13-12-4-2-1-3-11(12)5-6-14(13)20/h1-7,17-20H,8-10H2/b16-7+.
What are the key properties of 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol has a molecular weight of 275.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propane-1,3-diol is sourced from PubChem (CID 781693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).