alumane;1-ethyl-4-phosphorosooxybenzene

C8H12AlO2P — CID 175477629

IUPACalumane;1-ethyl-4-phosphorosooxybenzene
SMILESCCc1ccc(OP=O)cc1.[AlH3]
InChIInChI=1S/C8H9O2P.Al.3H/c1-2-7-3-5-8(6-4-7)10-11-9;;;;/h3-6H,2H2,1H3;;;;
InChIKeyYDWKDIRKRHIZGR-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.65
Rot. Bonds3

About alumane;1-ethyl-4-phosphorosooxybenzene

alumane;1-ethyl-4-phosphorosooxybenzene (PubChem CID 175477629) has the molecular formula C8H12AlO2P and a molecular weight of 198.14 g/mol. Its IUPAC name is alumane;1-ethyl-4-phosphorosooxybenzene.

Molecular Properties

Compound Namealumane;1-ethyl-4-phosphorosooxybenzene
PubChem CID175477629
Molecular FormulaC8H12AlO2P
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Namealumane;1-ethyl-4-phosphorosooxybenzene
SMILESCCc1ccc(OP=O)cc1.[AlH3]
InChIInChI=1S/C8H9O2P.Al.3H/c1-2-7-3-5-8(6-4-7)10-11-9;;;;/h3-6H,2H2,1H3;;;;
InChIKeyYDWKDIRKRHIZGR-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;oxoalumane
CID 174317758
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
(4-ethylphenyl) carbamate
CID 1269945
1,4-diethylbenzene;ethane;methane
CID 166131756
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
1-(4-ethylphenoxy)propan-2-one
CID 21325379
(4-ethylphenyl) hydrogen sulfate;hydrate
CID 141479577
[4-(4-ethylphenyl)phenyl] formate
CID 1393715
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756

Frequently Asked Questions

What is the IUPAC name of alumane;1-ethyl-4-phosphorosooxybenzene?
The IUPAC name of alumane;1-ethyl-4-phosphorosooxybenzene (CID 175477629) is alumane;1-ethyl-4-phosphorosooxybenzene.
What is the SMILES notation for alumane;1-ethyl-4-phosphorosooxybenzene?
The canonical SMILES for alumane;1-ethyl-4-phosphorosooxybenzene is CCc1ccc(OP=O)cc1.[AlH3].
What is the InChIKey of alumane;1-ethyl-4-phosphorosooxybenzene?
The InChIKey is YDWKDIRKRHIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P.Al.3H/c1-2-7-3-5-8(6-4-7)10-11-9;;;;/h3-6H,2H2,1H3;;;;.
What are the key properties of alumane;1-ethyl-4-phosphorosooxybenzene?
alumane;1-ethyl-4-phosphorosooxybenzene has a molecular weight of 198.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-ethyl-4-phosphorosooxybenzene is sourced from PubChem (CID 175477629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).