phosphane;prop-2-enylbenzene

C9H13P — CID 87328808

IUPACphosphane;prop-2-enylbenzene
SMILESC=CCc1ccccc1.P
InChIInChI=1S/C9H10.H3P/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H3
InChIKeyUBTGVWFAKKIMOQ-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.47
Rot. Bonds2

About phosphane;prop-2-enylbenzene

phosphane;prop-2-enylbenzene (PubChem CID 87328808) has the molecular formula C9H13P and a molecular weight of 152.18 g/mol. Its IUPAC name is phosphane;prop-2-enylbenzene.

Molecular Properties

Compound Namephosphane;prop-2-enylbenzene
PubChem CID87328808
Molecular FormulaC9H13P
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Namephosphane;prop-2-enylbenzene
SMILESC=CCc1ccccc1.P
InChIInChI=1S/C9H10.H3P/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H3
InChIKeyUBTGVWFAKKIMOQ-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
pentane;prop-2-enylbenzene
CID 90884247
propan-2-amine;prop-2-enylbenzene
CID 66809896
prop-2-enylbenzene;styrene;hydrochloride
CID 174946140
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
4-(4-aminophenyl)aniline;prop-2-enylbenzene
CID 175268611

Frequently Asked Questions

What is the IUPAC name of phosphane;prop-2-enylbenzene?
The IUPAC name of phosphane;prop-2-enylbenzene (CID 87328808) is phosphane;prop-2-enylbenzene.
What is the SMILES notation for phosphane;prop-2-enylbenzene?
The canonical SMILES for phosphane;prop-2-enylbenzene is C=CCc1ccccc1.P.
What is the InChIKey of phosphane;prop-2-enylbenzene?
The InChIKey is UBTGVWFAKKIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.H3P/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H3.
What are the key properties of phosphane;prop-2-enylbenzene?
phosphane;prop-2-enylbenzene has a molecular weight of 152.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;prop-2-enylbenzene is sourced from PubChem (CID 87328808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).