1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene

C11H17NO3 — CID 89081288

IUPAC1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(CON(O)O)cc1
InChIInChI=1S/C11H17NO3/c1-9(2)7-10-3-5-11(6-4-10)8-15-12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyJHANYRCDUHIRIU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.40
Rot. Bonds5

About 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene

1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene (PubChem CID 89081288) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene
PubChem CID89081288
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(CON(O)O)cc1
InChIInChI=1S/C11H17NO3/c1-9(2)7-10-3-5-11(6-4-10)8-15-12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyJHANYRCDUHIRIU-UHFFFAOYSA-N
XLogP2.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
CID 170058687
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
CID 5488589
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668

Frequently Asked Questions

What is the IUPAC name of 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene (CID 89081288) is 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(CON(O)O)cc1.
What is the InChIKey of 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene?
The InChIKey is JHANYRCDUHIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(2)7-10-3-5-11(6-4-10)8-15-12(13)14/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene?
1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene has a molecular weight of 211.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 89081288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).