1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene

C22H19O2P — CID 175870456

IUPAC1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
SMILESC=C=C(c1cccc(OC)c1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19O2P/c1-3-22(18-11-10-12-19(17-18)24-2)25(23,20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-17H,1H2,2H3
InChIKeyXUFGEHPVTQHZPL-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.84
Rot. Bonds5

About 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene

1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene (PubChem CID 175870456) has the molecular formula C22H19O2P and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
PubChem CID175870456
Molecular FormulaC22H19O2P
Molecular Weight346.37 g/mol
Exact Mass346.11
IUPAC Name1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
SMILESC=C=C(c1cccc(OC)c1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19O2P/c1-3-22(18-11-10-12-19(17-18)24-2)25(23,20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-17H,1H2,2H3
InChIKeyXUFGEHPVTQHZPL-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene
CID 164513905
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
CID 14790520
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
2-[(3-methoxybenzoyl)amino]-3-sulfopropanoic acid
CID 89123775
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene?
The IUPAC name of 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene (CID 175870456) is 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene.
What is the SMILES notation for 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene?
The canonical SMILES for 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene is C=C=C(c1cccc(OC)c1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene?
The InChIKey is XUFGEHPVTQHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19O2P/c1-3-22(18-11-10-12-19(17-18)24-2)25(23,20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-17H,1H2,2H3.
What are the key properties of 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene?
1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene has a molecular weight of 346.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene is sourced from PubChem (CID 175870456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).