2,5-dimethyl-1-phenyl-2,3-dihydrophosphole

C12H15P — CID 12706078

IUPAC2,5-dimethyl-1-phenyl-2,3-dihydrophosphole
SMILESCC1=CCC(C)P1c1ccccc1
InChIInChI=1S/C12H15P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyKDRSLADFMFVJES-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.49
Rot. Bonds1

About 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole

2,5-dimethyl-1-phenyl-2,3-dihydrophosphole (PubChem CID 12706078) has the molecular formula C12H15P and a molecular weight of 190.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-2,3-dihydrophosphole
PubChem CID12706078
Molecular FormulaC12H15P
Molecular Weight190.23 g/mol
Exact Mass190.09
IUPAC Name2,5-dimethyl-1-phenyl-2,3-dihydrophosphole
SMILESCC1=CCC(C)P1c1ccccc1
InChIInChI=1S/C12H15P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyKDRSLADFMFVJES-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 23418540
2-methyl-1-phenylphosphirene
CID 70018230
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
3,4-dimethyl-1-phenylphospholane
CID 11732644
(4-methylcyclobuten-1-yl)benzene
CID 173414108
3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 12518092
(5-methylcyclohexen-1-yl)benzene
CID 56998306
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
CID 10935558
2-phenyl-1,3,2-dioxaphosphinane
CID 11137748
(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione
CID 7707260
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane
CID 10374766

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole?
The IUPAC name of 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole (CID 12706078) is 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole?
The canonical SMILES for 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole is CC1=CCC(C)P1c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole?
The InChIKey is KDRSLADFMFVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole?
2,5-dimethyl-1-phenyl-2,3-dihydrophosphole has a molecular weight of 190.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-2,3-dihydrophosphole is sourced from PubChem (CID 12706078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).