1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene

C15H13FO2S — CID 57384940

IUPAC1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2S/c1-18-14-6-2-12(3-7-14)10-11-19(17)15-8-4-13(16)5-9-15/h2-11H,1H3/b11-10+
InChIKeyDWXNCDOJTCOIHJ-ZHACJKMWSA-N
MW276.33 g/mol
LogP3.61
Rot. Bonds4

About 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene

1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene (PubChem CID 57384940) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
PubChem CID57384940
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2S/c1-18-14-6-2-12(3-7-14)10-11-19(17)15-8-4-13(16)5-9-15/h2-11H,1H3/b11-10+
InChIKeyDWXNCDOJTCOIHJ-ZHACJKMWSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
CID 819544
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
1-[(3E)-1,1-difluoro-4-(4-fluorophenyl)buta-1,3-dien-2-yl]-4-methoxybenzene
CID 11500240
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene (CID 57384940) is 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene is COc1ccc(/C=C/S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene?
The InChIKey is DWXNCDOJTCOIHJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-14-6-2-12(3-7-14)10-11-19(17)15-8-4-13(16)5-9-15/h2-11H,1H3/b11-10+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene?
1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene has a molecular weight of 276.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene is sourced from PubChem (CID 57384940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).