benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid

C22H23O5P — CID 174842663

IUPACbenzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
SMILESC=Cc1ccccc1Oc1ccccc1C=C.O=P(O)(O)O.c1ccccc1
InChIInChI=1S/C16H14O.C6H6.H3O4P/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2;1-2-4-6-5-3-1;1-5(2,3)4/h3-12H,1-2H2;1-6H;(H3,1,2,3,4)
InChIKeyCZJWTPJHQUVQGN-UHFFFAOYSA-N
MW398.40 g/mol
LogP5.52
Rot. Bonds4

About benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid

benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid (PubChem CID 174842663) has the molecular formula C22H23O5P and a molecular weight of 398.40 g/mol. Its IUPAC name is benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid.

Molecular Properties

Compound Namebenzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
PubChem CID174842663
Molecular FormulaC22H23O5P
Molecular Weight398.40 g/mol
Exact Mass398.13
IUPAC Namebenzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
SMILESC=Cc1ccccc1Oc1ccccc1C=C.O=P(O)(O)O.c1ccccc1
InChIInChI=1S/C16H14O.C6H6.H3O4P/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2;1-2-4-6-5-3-1;1-5(2,3)4/h3-12H,1-2H2;1-6H;(H3,1,2,3,4)
InChIKeyCZJWTPJHQUVQGN-UHFFFAOYSA-N
XLogP5.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
CID 155345886
benzene;(2-ethenylphenyl) acetate
CID 175577038
1-ethenyl-2-ethylbenzene;phenoxybenzene;phosphoric acid
CID 174902871
2-(2-ethenylphenoxy)-2-methylpropanoic acid
CID 135013356
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
ditert-butyl (2-ethenylphenyl) phosphate
CID 54262154
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
(2-ethenylphenyl) 2-cyanoprop-2-enoate
CID 141117758
2-(2-ethenylphenoxy)ethyl hydrogen sulfate
CID 156674552
CID 67878092
CID 67878092

Frequently Asked Questions

What is the IUPAC name of benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid?
The IUPAC name of benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid (CID 174842663) is benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid.
What is the SMILES notation for benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid?
The canonical SMILES for benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid is C=Cc1ccccc1Oc1ccccc1C=C.O=P(O)(O)O.c1ccccc1.
What is the InChIKey of benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid?
The InChIKey is CZJWTPJHQUVQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O.C6H6.H3O4P/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2;1-2-4-6-5-3-1;1-5(2,3)4/h3-12H,1-2H2;1-6H;(H3,1,2,3,4).
What are the key properties of benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid?
benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid has a molecular weight of 398.40 g/mol, XLogP of 5.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid is sourced from PubChem (CID 174842663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).