1-dicyclopropylphosphoryl-2-methylbenzene

C13H17OP — CID 167253001

IUPAC1-dicyclopropylphosphoryl-2-methylbenzene
SMILESCc1ccccc1P(=O)(C1CC1)C1CC1
InChIInChI=1S/C13H17OP/c1-10-4-2-3-5-13(10)15(14,11-6-7-11)12-8-9-12/h2-5,11-12H,6-9H2,1H3
InChIKeyHMIMSGKVBPQXNU-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.31
Rot. Bonds3

About 1-dicyclopropylphosphoryl-2-methylbenzene

1-dicyclopropylphosphoryl-2-methylbenzene (PubChem CID 167253001) has the molecular formula C13H17OP and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-dicyclopropylphosphoryl-2-methylbenzene.

Molecular Properties

Compound Name1-dicyclopropylphosphoryl-2-methylbenzene
PubChem CID167253001
Molecular FormulaC13H17OP
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-dicyclopropylphosphoryl-2-methylbenzene
SMILESCc1ccccc1P(=O)(C1CC1)C1CC1
InChIInChI=1S/C13H17OP/c1-10-4-2-3-5-13(10)15(14,11-6-7-11)12-8-9-12/h2-5,11-12H,6-9H2,1H3
InChIKeyHMIMSGKVBPQXNU-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.31
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

2-(2-dicyclohexylphosphorylphenyl)-1-methoxy-3-methylbenzene
CID 158416799
1-dicyclohexyloxyphosphoryl-2-methylbenzene
CID 87590965
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
1-bromo-2-dicyclohexylphosphorylbenzene
CID 102164543
methyl-bis(2-methylphenyl)-selanylidene-λ5-phosphane
CID 86253016
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
1,3,5-trimethyl-2-[[(2-methylphenyl)-[(2,4,6-trimethylphenyl)methyl]phosphoryl]methyl]benzene
CID 159917872
tetramethyl-[(2-methylphenyl)-(tetramethyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
CID 141035011
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
(E)-N-bis(2-methylphenyl)phosphoryl-1-phenylethanimine
CID 135078022
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819

Frequently Asked Questions

What is the IUPAC name of 1-dicyclopropylphosphoryl-2-methylbenzene?
The IUPAC name of 1-dicyclopropylphosphoryl-2-methylbenzene (CID 167253001) is 1-dicyclopropylphosphoryl-2-methylbenzene.
What is the SMILES notation for 1-dicyclopropylphosphoryl-2-methylbenzene?
The canonical SMILES for 1-dicyclopropylphosphoryl-2-methylbenzene is Cc1ccccc1P(=O)(C1CC1)C1CC1.
What is the InChIKey of 1-dicyclopropylphosphoryl-2-methylbenzene?
The InChIKey is HMIMSGKVBPQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17OP/c1-10-4-2-3-5-13(10)15(14,11-6-7-11)12-8-9-12/h2-5,11-12H,6-9H2,1H3.
What are the key properties of 1-dicyclopropylphosphoryl-2-methylbenzene?
1-dicyclopropylphosphoryl-2-methylbenzene has a molecular weight of 220.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dicyclopropylphosphoryl-2-methylbenzene is sourced from PubChem (CID 167253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).