1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene

C18H20O4S — CID 123735400

IUPAC1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene
SMILESC=CCOC1=CCC(S(=O)(=O)c2ccc(OCC=C)cc2)C=C1
InChIInChI=1S/C18H20O4S/c1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2/h3-11,18H,1-2,12-14H2
InChIKeyVMUMOWHYTMMDSB-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.44
Rot. Bonds8

About 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene

1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene (PubChem CID 123735400) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene
PubChem CID123735400
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene
SMILESC=CCOC1=CCC(S(=O)(=O)c2ccc(OCC=C)cc2)C=C1
InChIInChI=1S/C18H20O4S/c1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2/h3-11,18H,1-2,12-14H2
InChIKeyVMUMOWHYTMMDSB-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-prop-2-enoxybenzenesulfonamide
CID 141457908
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
2-(4-prop-2-enoxyphenyl)-5-[[2-(4-prop-2-enoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135296215
[dimethyl-(4-prop-2-enoxyphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 162405292
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979
2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide
CID 90122451
(2S)-2-(4-prop-2-enoxyphenyl)aziridine
CID 55263639
N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457904

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene?
The IUPAC name of 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene (CID 123735400) is 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene.
What is the SMILES notation for 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene?
The canonical SMILES for 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene is C=CCOC1=CCC(S(=O)(=O)c2ccc(OCC=C)cc2)C=C1.
What is the InChIKey of 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene?
The InChIKey is VMUMOWHYTMMDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S/c1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2/h3-11,18H,1-2,12-14H2.
What are the key properties of 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene?
1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene has a molecular weight of 332.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)sulfonylbenzene is sourced from PubChem (CID 123735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).