1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene

C24H20O4S — CID 71068326

IUPAC1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
SMILESO=S(=O)(C1=CC=C(Oc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H20O4S/c25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20/h1-13,15-17H,14,18H2
InChIKeyHICPQNLZYZIQDI-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.89
Rot. Bonds6

About 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene

1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene (PubChem CID 71068326) has the molecular formula C24H20O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
PubChem CID71068326
Molecular FormulaC24H20O4S
Molecular Weight404.49 g/mol
Exact Mass404.11
IUPAC Name1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
SMILESO=S(=O)(C1=CC=C(Oc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H20O4S/c25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20/h1-13,15-17H,14,18H2
InChIKeyHICPQNLZYZIQDI-UHFFFAOYSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene?
The IUPAC name of 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene (CID 71068326) is 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene.
What is the SMILES notation for 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene?
The canonical SMILES for 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene is O=S(=O)(C1=CC=C(Oc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene?
The InChIKey is HICPQNLZYZIQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4S/c25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20/h1-13,15-17H,14,18H2.
What are the key properties of 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene?
1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene has a molecular weight of 404.49 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(4-phenoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene is sourced from PubChem (CID 71068326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).