1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol

C15H17NO2 — CID 5246475

IUPAC1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(CO)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(2,10-17)16-9-13-12-6-4-3-5-11(12)7-8-14(13)18/h3-9,17-18H,10H2,1-2H3/b16-9+
InChIKeyMOTNUFLMFZYADN-CXUHLZMHSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds3

About 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol

1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 5246475) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID5246475
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(CO)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(2,10-17)16-9-13-12-6-4-3-5-11(12)7-8-14(13)18/h3-9,17-18H,10H2,1-2H3/b16-9+
InChIKeyMOTNUFLMFZYADN-CXUHLZMHSA-N
XLogP2.74
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 2692498
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol (CID 5246475) is 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol is CC(C)(CO)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is MOTNUFLMFZYADN-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,10-17)16-9-13-12-6-4-3-5-11(12)7-8-14(13)18/h3-9,17-18H,10H2,1-2H3/b16-9+.
What are the key properties of 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol?
1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 5246475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).