ethane-1,2-diol;phenoxybenzene;phosphoric acid

C14H19O7P — CID 175293363

IUPACethane-1,2-diol;phenoxybenzene;phosphoric acid
SMILESO=P(O)(O)O.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H6O2.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-5(2,3)4/h1-10H;3-4H,1-2H2;(H3,1,2,3,4)
InChIKeyBUUCVWGDNLIAHP-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.52
Rot. Bonds3

About ethane-1,2-diol;phenoxybenzene;phosphoric acid

ethane-1,2-diol;phenoxybenzene;phosphoric acid (PubChem CID 175293363) has the molecular formula C14H19O7P and a molecular weight of 330.27 g/mol. Its IUPAC name is ethane-1,2-diol;phenoxybenzene;phosphoric acid.

Molecular Properties

Compound Nameethane-1,2-diol;phenoxybenzene;phosphoric acid
PubChem CID175293363
Molecular FormulaC14H19O7P
Molecular Weight330.27 g/mol
Exact Mass330.09
IUPAC Nameethane-1,2-diol;phenoxybenzene;phosphoric acid
SMILESO=P(O)(O)O.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H6O2.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-5(2,3)4/h1-10H;3-4H,1-2H2;(H3,1,2,3,4)
InChIKeyBUUCVWGDNLIAHP-UHFFFAOYSA-N
XLogP1.52
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
tripotassium;phenoxybenzene;phosphate
CID 160692134
isocyanic acid;phenoxybenzene;propane-1,3-diol
CID 175117319
oxophosphanium;phenoxybenzene
CID 161329594
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1-ethenyl-2-ethylbenzene;phenoxybenzene;phosphoric acid
CID 174902871
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
tris(4-phenoxyphenyl) phosphate
CID 70576220
3-methylbutan-1-ol;phenoxybenzene
CID 175265119

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;phenoxybenzene;phosphoric acid?
The IUPAC name of ethane-1,2-diol;phenoxybenzene;phosphoric acid (CID 175293363) is ethane-1,2-diol;phenoxybenzene;phosphoric acid.
What is the SMILES notation for ethane-1,2-diol;phenoxybenzene;phosphoric acid?
The canonical SMILES for ethane-1,2-diol;phenoxybenzene;phosphoric acid is O=P(O)(O)O.OCCO.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethane-1,2-diol;phenoxybenzene;phosphoric acid?
The InChIKey is BUUCVWGDNLIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C2H6O2.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-5(2,3)4/h1-10H;3-4H,1-2H2;(H3,1,2,3,4).
What are the key properties of ethane-1,2-diol;phenoxybenzene;phosphoric acid?
ethane-1,2-diol;phenoxybenzene;phosphoric acid has a molecular weight of 330.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;phenoxybenzene;phosphoric acid is sourced from PubChem (CID 175293363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).