5-phenyl-4-phenylmethoxy-1,3-benzodioxole

C20H16O3 — CID 70629497

IUPAC5-phenyl-4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1
InChIInChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2
InChIKeyRWQXXUKXRYUDNS-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.66
Rot. Bonds4

About 5-phenyl-4-phenylmethoxy-1,3-benzodioxole

5-phenyl-4-phenylmethoxy-1,3-benzodioxole (PubChem CID 70629497) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-phenyl-4-phenylmethoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-phenyl-4-phenylmethoxy-1,3-benzodioxole
PubChem CID70629497
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name5-phenyl-4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1
InChIInChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2
InChIKeyRWQXXUKXRYUDNS-UHFFFAOYSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxy-1,3-benzodioxole
CID 14180566
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
3-amino-4-phenyl-2-phenylmethoxybenzonitrile
CID 91072993
24-(phenylmethoxymethyl)-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
CID 118655547
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
2-phenylmethoxybenzene-1,3-diol
CID 15652625
6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol
CID 174745981
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
2-phenyl-5-phenylmethoxyphenol
CID 123808909

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The IUPAC name of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole (CID 70629497) is 5-phenyl-4-phenylmethoxy-1,3-benzodioxole.
What is the SMILES notation for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The canonical SMILES for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole is c1ccc(COc2c(-c3ccccc3)ccc3c2OCO3)cc1.
What is the InChIKey of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
The InChIKey is RWQXXUKXRYUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-3-7-15(8-4-1)13-21-19-17(16-9-5-2-6-10-16)11-12-18-20(19)23-14-22-18/h1-12H,13-14H2.
What are the key properties of 5-phenyl-4-phenylmethoxy-1,3-benzodioxole?
5-phenyl-4-phenylmethoxy-1,3-benzodioxole has a molecular weight of 304.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenylmethoxy-1,3-benzodioxole is sourced from PubChem (CID 70629497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).