2-methylpropylalumane;phenoxybenzene

C16H21AlO — CID 175332476

IUPAC2-methylpropylalumane;phenoxybenzene
SMILESCC(C)C[AlH2].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H9.Al.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3;;;/h1-10H;4H,1H2,2-3H3;;;
InChIKeyDXBCDEACLHHYRC-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.17
Rot. Bonds3

About 2-methylpropylalumane;phenoxybenzene

2-methylpropylalumane;phenoxybenzene (PubChem CID 175332476) has the molecular formula C16H21AlO and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methylpropylalumane;phenoxybenzene.

Molecular Properties

Compound Name2-methylpropylalumane;phenoxybenzene
PubChem CID175332476
Molecular FormulaC16H21AlO
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Name2-methylpropylalumane;phenoxybenzene
SMILESCC(C)C[AlH2].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H9.Al.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3;;;/h1-10H;4H,1H2,2-3H3;;;
InChIKeyDXBCDEACLHHYRC-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylbutan-1-ol;phenoxybenzene
CID 175265119
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
ethane;phenoxybenzene;propane
CID 90923491
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
potassium;hydride;phenoxybenzene
CID 173391576
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylalumane;phenoxybenzene?
The IUPAC name of 2-methylpropylalumane;phenoxybenzene (CID 175332476) is 2-methylpropylalumane;phenoxybenzene.
What is the SMILES notation for 2-methylpropylalumane;phenoxybenzene?
The canonical SMILES for 2-methylpropylalumane;phenoxybenzene is CC(C)C[AlH2].c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methylpropylalumane;phenoxybenzene?
The InChIKey is DXBCDEACLHHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C4H9.Al.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3;;;/h1-10H;4H,1H2,2-3H3;;;.
What are the key properties of 2-methylpropylalumane;phenoxybenzene?
2-methylpropylalumane;phenoxybenzene has a molecular weight of 256.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylalumane;phenoxybenzene is sourced from PubChem (CID 175332476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).