1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene

C19H20O3S — CID 73028468

IUPAC1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
SMILESCOc1ccc(C=CC=C(C)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-16(15-23(20,21)19-9-4-3-5-10-19)7-6-8-17-11-13-18(22-2)14-12-17/h3-14H,15H2,1-2H3
InChIKeyCYQNYUOKMZPXFK-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.13
Rot. Bonds6

About 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene

1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene (PubChem CID 73028468) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
PubChem CID73028468
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
SMILESCOc1ccc(C=CC=C(C)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-16(15-23(20,21)19-9-4-3-5-10-19)7-6-8-17-11-13-18(22-2)14-12-17/h3-14H,15H2,1-2H3
InChIKeyCYQNYUOKMZPXFK-UHFFFAOYSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-chlorobenzene
CID 73060329
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene
CID 11637643
[(E)-5-chloro-6-methoxy-2-methylhex-2-enyl]sulfonylbenzene
CID 13198641
(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 46223650
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene?
The IUPAC name of 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene (CID 73028468) is 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene.
What is the SMILES notation for 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene?
The canonical SMILES for 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene is COc1ccc(C=CC=C(C)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene?
The InChIKey is CYQNYUOKMZPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-16(15-23(20,21)19-9-4-3-5-10-19)7-6-8-17-11-13-18(22-2)14-12-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene?
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene has a molecular weight of 328.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene is sourced from PubChem (CID 73028468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).