1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene

C15H14O2S — CID 819544

IUPAC1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/S(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-14-9-7-13(8-10-14)11-12-18(16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
InChIKeyJKEMXLPCVIOJAS-VAWYXSNFSA-N
MW258.34 g/mol
LogP3.47
Rot. Bonds4

About 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene

1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene (PubChem CID 819544) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
PubChem CID819544
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/S(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-17-14-9-7-13(8-10-14)11-12-18(16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
InChIKeyJKEMXLPCVIOJAS-VAWYXSNFSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
CID 57384940
N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline
CID 138974753
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxybenzene
CID 118270621
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
methyl (E)-3-(benzenesulfinyl)prop-2-enoate
CID 11095882
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene (CID 819544) is 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene is COc1ccc(/C=C/S(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene?
The InChIKey is JKEMXLPCVIOJAS-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-14-9-7-13(8-10-14)11-12-18(16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+.
What are the key properties of 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene?
1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene has a molecular weight of 258.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 819544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).