1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene

C12H19OP — CID 20772007

IUPAC1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
SMILESCCP(C)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H19OP/c1-5-14(4,13)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3
InChIKeyLQHIFBUGZCTHCV-UHFFFAOYSA-N
MW210.26 g/mol
LogP3.45
Rot. Bonds3

About 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene

1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene (PubChem CID 20772007) has the molecular formula C12H19OP and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
PubChem CID20772007
Molecular FormulaC12H19OP
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
SMILESCCP(C)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H19OP/c1-5-14(4,13)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3
InChIKeyLQHIFBUGZCTHCV-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
CID 54050857
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-dimethoxyphosphoryl-4-propan-2-ylbenzene
CID 102363229
molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
CID 170613639
dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
CID 141230622
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
ethyl-bis(4-propan-2-ylphenyl)phosphane
CID 175198941
N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane
CID 142924811
(4-propan-2-ylphenyl) propyl hydrogen phosphate
CID 175182097
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene (CID 20772007) is 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene is CCP(C)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene?
The InChIKey is LQHIFBUGZCTHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP/c1-5-14(4,13)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3.
What are the key properties of 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene?
1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene has a molecular weight of 210.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene is sourced from PubChem (CID 20772007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).