carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium

C11H17OY- — CID 157263215

IUPACcarbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
SMILESCOc1ccc(C(C)C)cc1.[CH3-].[Y]
InChIInChI=1S/C10H14O.CH3.Y/c1-8(2)9-4-6-10(11-3)7-5-9;;/h4-8H,1-3H3;1H3;/q;-1;
InChIKeyTXKFXNXISUGRPK-UHFFFAOYSA-N
MW254.16 g/mol
LogP3.27
Rot. Bonds2

About carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium

carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium (PubChem CID 157263215) has the molecular formula C11H17OY- and a molecular weight of 254.16 g/mol. Its IUPAC name is carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
PubChem CID157263215
Molecular FormulaC11H17OY-
Molecular Weight254.16 g/mol
Exact Mass254.03
IUPAC Namecarbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
SMILESCOc1ccc(C(C)C)cc1.[CH3-].[Y]
InChIInChI=1S/C10H14O.CH3.Y/c1-8(2)9-4-6-10(11-3)7-5-9;;/h4-8H,1-3H3;1H3;/q;-1;
InChIKeyTXKFXNXISUGRPK-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
1-[1-(4-methoxyphenyl)-2-nitropropyl]-4-propan-2-ylbenzene
CID 54163355
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
CID 175713586
CID 175713586
methyl-(4-propan-2-ylphenoxy)phosphane
CID 23527570
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611

Frequently Asked Questions

What is the IUPAC name of carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium?
The IUPAC name of carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium (CID 157263215) is carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium.
What is the SMILES notation for carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium?
The canonical SMILES for carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium is COc1ccc(C(C)C)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium?
The InChIKey is TXKFXNXISUGRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.CH3.Y/c1-8(2)9-4-6-10(11-3)7-5-9;;/h4-8H,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium?
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium has a molecular weight of 254.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium is sourced from PubChem (CID 157263215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).