[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite

C18H21O4P — CID 167457273

IUPAC[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite
SMILESCOc1cc(/C=C/c2ccccc2)cc(OP(O)O)c1C(C)C
InChIInChI=1S/C18H21O4P/c1-13(2)18-16(21-3)11-15(12-17(18)22-23(19)20)10-9-14-7-5-4-6-8-14/h4-13,19-20H,1-3H3/b10-9+
InChIKeyZXPIQUBUQFNALK-MDZDMXLPSA-N
MW332.34 g/mol
LogP4.58
Rot. Bonds6

About [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite

[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite (PubChem CID 167457273) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite
PubChem CID167457273
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite
SMILESCOc1cc(/C=C/c2ccccc2)cc(OP(O)O)c1C(C)C
InChIInChI=1S/C18H21O4P/c1-13(2)18-16(21-3)11-15(12-17(18)22-23(19)20)10-9-14-7-5-4-6-8-14/h4-13,19-20H,1-3H3/b10-9+
InChIKeyZXPIQUBUQFNALK-MDZDMXLPSA-N
XLogP4.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite 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-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
CID 141048759
1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene
CID 174594845
2-phenylethyl 3-(3,5-dimethoxy-4-propan-2-ylphenyl)prop-2-enoate
CID 75164827
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
3-hydroxysulfanyloxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenol
CID 167457311
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
[3-hydroxy-5-(2-phenylethenyl)-2-propan-2-ylphenyl] hydrogen sulfate
CID 171323387
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
3-diaminophosphoryloxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenol
CID 167457279
4-[2-[4-[1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 123762733
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
CID 170351002

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite?
The IUPAC name of [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite (CID 167457273) is [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite.
What is the SMILES notation for [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite?
The canonical SMILES for [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite is COc1cc(/C=C/c2ccccc2)cc(OP(O)O)c1C(C)C.
What is the InChIKey of [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite?
The InChIKey is ZXPIQUBUQFNALK-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H21O4P/c1-13(2)18-16(21-3)11-15(12-17(18)22-23(19)20)10-9-14-7-5-4-6-8-14/h4-13,19-20H,1-3H3/b10-9+.
What are the key properties of [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite?
[3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite has a molecular weight of 332.34 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenyl] dihydrogen phosphite is sourced from PubChem (CID 167457273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).