methyl(1-pyren-1-ylethyl)phosphane

C19H17P — CID 144875386

IUPACmethyl(1-pyren-1-ylethyl)phosphane
SMILESCPC(C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H17P/c1-12(20-2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-12,20H,1-2H3
InChIKeyQKHLRVGOBOJKGZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP5.95
Rot. Bonds2

About methyl(1-pyren-1-ylethyl)phosphane

methyl(1-pyren-1-ylethyl)phosphane (PubChem CID 144875386) has the molecular formula C19H17P and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl(1-pyren-1-ylethyl)phosphane.

Molecular Properties

Compound Namemethyl(1-pyren-1-ylethyl)phosphane
PubChem CID144875386
Molecular FormulaC19H17P
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Namemethyl(1-pyren-1-ylethyl)phosphane
SMILESCPC(C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H17P/c1-12(20-2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-12,20H,1-2H3
InChIKeyQKHLRVGOBOJKGZ-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.32
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]pyrene
CID 102523746
3-pyren-1-ylbutan-2-one
CID 129287617
1-pyren-1-ylpropan-1-amine
CID 57432894
(1R)-4-methyl-1-pyren-1-ylpentan-1-amine;hydrochloride
CID 171216860
1-pyren-1-ylpropan-1-amine;hydrochloride
CID 57432893
(1S,2R)-1-amino-5-methyl-1-pyren-1-ylhexan-2-ol
CID 171272008
(1R)-1-pyren-1-ylbutan-1-amine;hydrochloride
CID 171216824
benzene;bis(propan-2-ol);bis(pyren-1-ol)
CID 158038310
(1R,2S)-1-amino-3,3-dimethyl-1-pyren-1-ylbutan-2-ol
CID 171266336
[fluoro(pyren-1-yl)methyl] hydrogen sulfite
CID 174847179
(1S,2R)-1-amino-1-pyren-1-ylbutan-2-ol;hydrochloride
CID 171271987
(1S)-1,3-di(pyren-1-yl)propan-1-ol
CID 101123700

Frequently Asked Questions

What is the IUPAC name of methyl(1-pyren-1-ylethyl)phosphane?
The IUPAC name of methyl(1-pyren-1-ylethyl)phosphane (CID 144875386) is methyl(1-pyren-1-ylethyl)phosphane.
What is the SMILES notation for methyl(1-pyren-1-ylethyl)phosphane?
The canonical SMILES for methyl(1-pyren-1-ylethyl)phosphane is CPC(C)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of methyl(1-pyren-1-ylethyl)phosphane?
The InChIKey is QKHLRVGOBOJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17P/c1-12(20-2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-12,20H,1-2H3.
What are the key properties of methyl(1-pyren-1-ylethyl)phosphane?
methyl(1-pyren-1-ylethyl)phosphane has a molecular weight of 276.32 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1-pyren-1-ylethyl)phosphane is sourced from PubChem (CID 144875386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).