benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene

C15H18O2P+ — CID 173443660

IUPACbenzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
SMILESC=CCc1ccccc1.O=[PH+]O.c1ccccc1
InChIInChI=1S/C9H10.C6H6.HO2P/c1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2/h2-5,7-8H,1,6H2;1-6H;3H/p+1
InChIKeyMASBFSVWPRJZIP-UHFFFAOYSA-O
MW261.28 g/mol
LogP4.02
Rot. Bonds2

About benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene

benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene (PubChem CID 173443660) has the molecular formula C15H18O2P+ and a molecular weight of 261.28 g/mol. Its IUPAC name is benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene.

Molecular Properties

Compound Namebenzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
PubChem CID173443660
Molecular FormulaC15H18O2P+
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namebenzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
SMILESC=CCc1ccccc1.O=[PH+]O.c1ccccc1
InChIInChI=1S/C9H10.C6H6.HO2P/c1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2/h2-5,7-8H,1,6H2;1-6H;3H/p+1
InChIKeyMASBFSVWPRJZIP-UHFFFAOYSA-O
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene?
The IUPAC name of benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene (CID 173443660) is benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene.
What is the SMILES notation for benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene?
The canonical SMILES for benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene is C=CCc1ccccc1.O=[PH+]O.c1ccccc1.
What is the InChIKey of benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene?
The InChIKey is MASBFSVWPRJZIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10.C6H6.HO2P/c1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2/h2-5,7-8H,1,6H2;1-6H;3H/p+1.
What are the key properties of benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene?
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene has a molecular weight of 261.28 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene is sourced from PubChem (CID 173443660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).