[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane

C27H21O4P — CID 144514545

IUPAC[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
SMILESC[C@@H]1Oc2cccc(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OCO4)c2O1
InChIInChI=1S/C27H21O4P/c1-18-30-23-14-8-13-21(26(23)31-18)25-24(16-15-22-27(25)29-17-28-22)32(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,18H,17H2,1H3/t18-/m1/s1
InChIKeyZHCIGOKDVIIHRY-GOSISDBHSA-N
MW440.44 g/mol
LogP4.96
Rot. Bonds4

About [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane

[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane (PubChem CID 144514545) has the molecular formula C27H21O4P and a molecular weight of 440.44 g/mol. Its IUPAC name is [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
PubChem CID144514545
Molecular FormulaC27H21O4P
Molecular Weight440.44 g/mol
Exact Mass440.12
IUPAC Name[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
SMILESC[C@@H]1Oc2cccc(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OCO4)c2O1
InChIInChI=1S/C27H21O4P/c1-18-30-23-14-8-13-21(26(23)31-18)25-24(16-15-22-27(25)29-17-28-22)32(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,18H,17H2,1H3/t18-/m1/s1
InChIKeyZHCIGOKDVIIHRY-GOSISDBHSA-N
XLogP4.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
CID 71310596
bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride
CID 175687646
diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
CID 134839910
(1-diphenylphosphanylbenzo[d][1,3]benzodioxepin-11-yl)-diphenylphosphane;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 157489097
[(9S,10S)-9,10-dimethyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-yl]-diphenylphosphane
CID 132569783
chlororuthenium(1+);[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;chloride
CID 71310236
CID 16744161
CID 16744161
(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane
CID 126512887
(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
CID 18324341
(12-diphenylphosphanyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl)-diphenylphosphane
CID 635885
[2-(2-bicyclo[2.2.1]hept-5-enyl)-4-[2-(2-bicyclo[2.2.1]hept-5-enyl)-5-diphenylphosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 88878285
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane?
The IUPAC name of [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane (CID 144514545) is [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane.
What is the SMILES notation for [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane?
The canonical SMILES for [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane is C[C@@H]1Oc2cccc(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OCO4)c2O1.
What is the InChIKey of [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane?
The InChIKey is ZHCIGOKDVIIHRY-GOSISDBHSA-N. The full InChI is InChI=1S/C27H21O4P/c1-18-30-23-14-8-13-21(26(23)31-18)25-24(16-15-22-27(25)29-17-28-22)32(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,18H,17H2,1H3/t18-/m1/s1.
What are the key properties of [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane?
[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane has a molecular weight of 440.44 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane is sourced from PubChem (CID 144514545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).