[cyclopropyl(methyl)phosphoryl]benzene

C10H13OP — CID 601643

IUPAC[cyclopropyl(methyl)phosphoryl]benzene
SMILESCP(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C10H13OP/c1-12(11,10-7-8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRODLQHWPBSQVFS-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.47
Rot. Bonds2

About [cyclopropyl(methyl)phosphoryl]benzene

[cyclopropyl(methyl)phosphoryl]benzene (PubChem CID 601643) has the molecular formula C10H13OP and a molecular weight of 180.19 g/mol. Its IUPAC name is [cyclopropyl(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name[cyclopropyl(methyl)phosphoryl]benzene
PubChem CID601643
Molecular FormulaC10H13OP
Molecular Weight180.19 g/mol
Exact Mass180.07
IUPAC Name[cyclopropyl(methyl)phosphoryl]benzene
SMILESCP(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C10H13OP/c1-12(11,10-7-8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRODLQHWPBSQVFS-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.47
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

ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069
CID 50986602
CID 50986602
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
CID 11087864

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(methyl)phosphoryl]benzene?
The IUPAC name of [cyclopropyl(methyl)phosphoryl]benzene (CID 601643) is [cyclopropyl(methyl)phosphoryl]benzene.
What is the SMILES notation for [cyclopropyl(methyl)phosphoryl]benzene?
The canonical SMILES for [cyclopropyl(methyl)phosphoryl]benzene is CP(=O)(c1ccccc1)C1CC1.
What is the InChIKey of [cyclopropyl(methyl)phosphoryl]benzene?
The InChIKey is RODLQHWPBSQVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OP/c1-12(11,10-7-8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of [cyclopropyl(methyl)phosphoryl]benzene?
[cyclopropyl(methyl)phosphoryl]benzene has a molecular weight of 180.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl(methyl)phosphoryl]benzene is sourced from PubChem (CID 601643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).