methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium

C11H16NOY- — CID 153398512

IUPACmethyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium
SMILESC[N-]c1ccc(OCC(C)C)cc1.[Y]
InChIInChI=1S/C11H16NO.Y/c1-9(2)8-13-11-6-4-10(12-3)5-7-11;/h4-7,9H,8H2,1-3H3;/q-1;
InChIKeyBCMWODMWUGCVMX-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.35
Rot. Bonds4

About methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium

methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium (PubChem CID 153398512) has the molecular formula C11H16NOY- and a molecular weight of 267.16 g/mol. Its IUPAC name is methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium.

Molecular Properties

Compound Namemethyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium
PubChem CID153398512
Molecular FormulaC11H16NOY-
Molecular Weight267.16 g/mol
Exact Mass267.03
IUPAC Namemethyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium
SMILESC[N-]c1ccc(OCC(C)C)cc1.[Y]
InChIInChI=1S/C11H16NO.Y/c1-9(2)8-13-11-6-4-10(12-3)5-7-11;/h4-7,9H,8H2,1-3H3;/q-1;
InChIKeyBCMWODMWUGCVMX-UHFFFAOYSA-N
XLogP3.35
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium?
The IUPAC name of methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium (CID 153398512) is methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium.
What is the SMILES notation for methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium?
The canonical SMILES for methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium is C[N-]c1ccc(OCC(C)C)cc1.[Y].
What is the InChIKey of methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium?
The InChIKey is BCMWODMWUGCVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO.Y/c1-9(2)8-13-11-6-4-10(12-3)5-7-11;/h4-7,9H,8H2,1-3H3;/q-1;.
What are the key properties of methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium?
methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium has a molecular weight of 267.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium is sourced from PubChem (CID 153398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).