1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene

C18H24O7P2+2 — CID 173226505

IUPAC1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=[P+](O)O.O=[P+](O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H10O.2HO3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;2*1-4(2)3/h1-10H;3-4H,1-2,5-6H2;2*(H-,1,2,3)/p+2
InChIKeyOLPUNZUXLSERHB-UHFFFAOYSA-P
MW414.33 g/mol
LogP3.99
Rot. Bonds5

About 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene

1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene (PubChem CID 173226505) has the molecular formula C18H24O7P2+2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
PubChem CID173226505
Molecular FormulaC18H24O7P2+2
Molecular Weight414.33 g/mol
Exact Mass414.10
IUPAC Name1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=[P+](O)O.O=[P+](O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H10O.2HO3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;2*1-4(2)3/h1-10H;3-4H,1-2,5-6H2;2*(H-,1,2,3)/p+2
InChIKeyOLPUNZUXLSERHB-UHFFFAOYSA-P
XLogP3.99
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
bis(1,1'-biphenyl);phosphenous acid
CID 18188455
2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
CID 174655198
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
hydroxy-oxo-(4-phenylphenyl)phosphanium
CID 19796179
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
CID 142823878
prop-2-enyl 3-phenylbenzoate
CID 22594829
benzene;1,1'-biphenyl;ethenamine
CID 174584589
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene?
The IUPAC name of 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene (CID 173226505) is 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene is C=CCOCC=C.O=[P+](O)O.O=[P+](O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene?
The InChIKey is OLPUNZUXLSERHB-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H10.C6H10O.2HO3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-6-4-2;2*1-4(2)3/h1-10H;3-4H,1-2,5-6H2;2*(H-,1,2,3)/p+2.
What are the key properties of 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene?
1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene has a molecular weight of 414.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 173226505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).