1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene

C24H30O4S — CID 135024891

IUPAC1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
SMILESC=CCc1cc(S(=O)(=O)c2ccc(OC(C)C)c(CC=C)c2)ccc1OC(C)C
InChIInChI=1S/C24H30O4S/c1-7-9-19-15-21(11-13-23(19)27-17(3)4)29(25,26)22-12-14-24(28-18(5)6)20(16-22)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3
InChIKeyBWARQDZDRPRVJR-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.55
Rot. Bonds10

About 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene

1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene (PubChem CID 135024891) has the molecular formula C24H30O4S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
PubChem CID135024891
Molecular FormulaC24H30O4S
Molecular Weight414.57 g/mol
Exact Mass414.19
IUPAC Name1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
SMILESC=CCc1cc(S(=O)(=O)c2ccc(OC(C)C)c(CC=C)c2)ccc1OC(C)C
InChIInChI=1S/C24H30O4S/c1-7-9-19-15-21(11-13-23(19)27-17(3)4)29(25,26)22-12-14-24(28-18(5)6)20(16-22)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3
InChIKeyBWARQDZDRPRVJR-UHFFFAOYSA-N
XLogP5.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene?
The IUPAC name of 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene (CID 135024891) is 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene.
What is the SMILES notation for 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene?
The canonical SMILES for 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene is C=CCc1cc(S(=O)(=O)c2ccc(OC(C)C)c(CC=C)c2)ccc1OC(C)C.
What is the InChIKey of 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene?
The InChIKey is BWARQDZDRPRVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4S/c1-7-9-19-15-21(11-13-23(19)27-17(3)4)29(25,26)22-12-14-24(28-18(5)6)20(16-22)10-8-2/h7-8,11-18H,1-2,9-10H2,3-6H3.
What are the key properties of 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene?
1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene has a molecular weight of 414.57 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene is sourced from PubChem (CID 135024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).