[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate

C11H16NO3P — CID 175354358

IUPAC[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate
SMILESCC(C)P(C)(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C11H16NO3P/c1-8(2)16(3,14)10-6-4-5-9(7-10)15-11(12)13/h4-8H,1-3H3,(H2,12,13)
InChIKeyJAVGIAAGFFWRGP-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.17
Rot. Bonds3

About [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate

[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate (PubChem CID 175354358) has the molecular formula C11H16NO3P and a molecular weight of 241.23 g/mol. Its IUPAC name is [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate.

Molecular Properties

Compound Name[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate
PubChem CID175354358
Molecular FormulaC11H16NO3P
Molecular Weight241.23 g/mol
Exact Mass241.09
IUPAC Name[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate
SMILESCC(C)P(C)(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C11H16NO3P/c1-8(2)16(3,14)10-6-4-5-9(7-10)15-11(12)13/h4-8H,1-3H3,(H2,12,13)
InChIKeyJAVGIAAGFFWRGP-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate?
The IUPAC name of [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate (CID 175354358) is [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate.
What is the SMILES notation for [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate?
The canonical SMILES for [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate is CC(C)P(C)(=O)c1cccc(OC(N)=O)c1.
What is the InChIKey of [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate?
The InChIKey is JAVGIAAGFFWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3P/c1-8(2)16(3,14)10-6-4-5-9(7-10)15-11(12)13/h4-8H,1-3H3,(H2,12,13).
What are the key properties of [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate?
[3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate has a molecular weight of 241.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(propan-2-yl)phosphoryl]phenyl] carbamate is sourced from PubChem (CID 175354358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).