1,2-diphenylbuta-1,3-dienylphosphonic acid

C16H15O3P — CID 175137744

IUPAC1,2-diphenylbuta-1,3-dienylphosphonic acid
SMILESC=CC(=C(c1ccccc1)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C16H15O3P/c1-2-15(13-9-5-3-6-10-13)16(20(17,18)19)14-11-7-4-8-12-14/h2-12H,1H2,(H2,17,18,19)
InChIKeyJJDRUOSAOSHBTK-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.92
Rot. Bonds4

About 1,2-diphenylbuta-1,3-dienylphosphonic acid

1,2-diphenylbuta-1,3-dienylphosphonic acid (PubChem CID 175137744) has the molecular formula C16H15O3P and a molecular weight of 286.27 g/mol. Its IUPAC name is 1,2-diphenylbuta-1,3-dienylphosphonic acid.

Molecular Properties

Compound Name1,2-diphenylbuta-1,3-dienylphosphonic acid
PubChem CID175137744
Molecular FormulaC16H15O3P
Molecular Weight286.27 g/mol
Exact Mass286.08
IUPAC Name1,2-diphenylbuta-1,3-dienylphosphonic acid
SMILESC=CC(=C(c1ccccc1)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C16H15O3P/c1-2-15(13-9-5-3-6-10-13)16(20(17,18)19)14-11-7-4-8-12-14/h2-12H,1H2,(H2,17,18,19)
InChIKeyJJDRUOSAOSHBTK-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-diphenylbuta-1,3-dienylphosphonic 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

2-hydroxy-3-phenylpenta-2,4-dienoic acid
CID 163782499
4-(4-phenylhexa-1,3,5-trien-3-yl)benzenesulfonic acid
CID 141082862
2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 138972060
1-dimethylphosphorylethenylbenzene
CID 89402997
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
oxiran-2-ylmethyl 2-methyl-3-phenylpenta-2,4-dienoate
CID 174825427
N-[(prop-2-enoylamino)methyl]benzamide
CID 46707282
prop-1-en-2-ylphosphonic acid;styrene
CID 160761452
3-bromo-2-phenylpenta-2,4-dienoic acid
CID 154309812
phenacyl
CID 11123355

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylbuta-1,3-dienylphosphonic acid?
The IUPAC name of 1,2-diphenylbuta-1,3-dienylphosphonic acid (CID 175137744) is 1,2-diphenylbuta-1,3-dienylphosphonic acid.
What is the SMILES notation for 1,2-diphenylbuta-1,3-dienylphosphonic acid?
The canonical SMILES for 1,2-diphenylbuta-1,3-dienylphosphonic acid is C=CC(=C(c1ccccc1)P(=O)(O)O)c1ccccc1.
What is the InChIKey of 1,2-diphenylbuta-1,3-dienylphosphonic acid?
The InChIKey is JJDRUOSAOSHBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O3P/c1-2-15(13-9-5-3-6-10-13)16(20(17,18)19)14-11-7-4-8-12-14/h2-12H,1H2,(H2,17,18,19).
What are the key properties of 1,2-diphenylbuta-1,3-dienylphosphonic acid?
1,2-diphenylbuta-1,3-dienylphosphonic acid has a molecular weight of 286.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylbuta-1,3-dienylphosphonic acid is sourced from PubChem (CID 175137744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).