1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene

C19H21O2P — CID 164513905

IUPAC1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene
SMILESC=C=C(c1ccccc1)[P@@](=O)(c1cccc(OC)c1)C(C)C
InChIInChI=1S/C19H21O2P/c1-5-19(16-10-7-6-8-11-16)22(20,15(2)3)18-13-9-12-17(14-18)21-4/h6-15H,1H2,2-4H3/t22-/m0/s1
InChIKeyZQUQTHNPVXXTOH-QFIPXVFZSA-N
MW312.35 g/mol
LogP4.92
Rot. Bonds5

About 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene

1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene (PubChem CID 164513905) has the molecular formula C19H21O2P and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene
PubChem CID164513905
Molecular FormulaC19H21O2P
Molecular Weight312.35 g/mol
Exact Mass312.13
IUPAC Name1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene
SMILESC=C=C(c1ccccc1)[P@@](=O)(c1cccc(OC)c1)C(C)C
InChIInChI=1S/C19H21O2P/c1-5-19(16-10-7-6-8-11-16)22(20,15(2)3)18-13-9-12-17(14-18)21-4/h6-15H,1H2,2-4H3/t22-/m0/s1
InChIKeyZQUQTHNPVXXTOH-QFIPXVFZSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.92
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-(1-diphenylphosphorylpropa-1,2-dienyl)-3-methoxybenzene
CID 175870456
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
CID 14790520
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
tris(3-methoxyphenyl)-selanylidene-λ5-phosphane
CID 23421608
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene?
The IUPAC name of 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene (CID 164513905) is 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene.
What is the SMILES notation for 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene?
The canonical SMILES for 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene is C=C=C(c1ccccc1)[P@@](=O)(c1cccc(OC)c1)C(C)C.
What is the InChIKey of 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene?
The InChIKey is ZQUQTHNPVXXTOH-QFIPXVFZSA-N. The full InChI is InChI=1S/C19H21O2P/c1-5-19(16-10-7-6-8-11-16)22(20,15(2)3)18-13-9-12-17(14-18)21-4/h6-15H,1H2,2-4H3/t22-/m0/s1.
What are the key properties of 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene?
1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene has a molecular weight of 312.35 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[1-phenylpropa-1,2-dienyl(propan-2-yl)phosphoryl]benzene is sourced from PubChem (CID 164513905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).