ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene

C15H18S — CID 143380130

IUPACethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
SMILESC/C=C/c1cc(-c2ccccc2)cs1.CC
InChIInChI=1S/C13H12S.C2H6/c1-2-6-13-9-12(10-14-13)11-7-4-3-5-8-11;1-2/h2-10H,1H3;1-2H3/b6-2+;
InChIKeyCYKMYUDDEATRRQ-LKZNWTOYSA-N
MW230.38 g/mol
LogP5.47
Rot. Bonds2

About ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene

ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene (PubChem CID 143380130) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene.

Molecular Properties

Compound Nameethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
PubChem CID143380130
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Nameethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
SMILESC/C=C/c1cc(-c2ccccc2)cs1.CC
InChIInChI=1S/C13H12S.C2H6/c1-2-6-13-9-12(10-14-13)11-7-4-3-5-8-11;1-2/h2-10H,1H3;1-2H3/b6-2+;
InChIKeyCYKMYUDDEATRRQ-LKZNWTOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-phenylthiophen-2-yl)prop-2-en-1-amine
CID 169464732
(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 170877143
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
2,4-diphenylthiophene
CID 520616
benzene;1,1'-biphenyl;ethane
CID 158550617
(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 45051002
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
ethane;1,3,5-triphenylbenzene
CID 142123051
(E)-3-(4-phenylthiophen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 166186509
4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
CID 118927379
4-phenylthiophen-2-amine;hydrochloride
CID 90309032
benzene;1,1'-biphenyl;ethane;methane
CID 161215689

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene?
The IUPAC name of ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene (CID 143380130) is ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene.
What is the SMILES notation for ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene?
The canonical SMILES for ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene is C/C=C/c1cc(-c2ccccc2)cs1.CC.
What is the InChIKey of ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene?
The InChIKey is CYKMYUDDEATRRQ-LKZNWTOYSA-N. The full InChI is InChI=1S/C13H12S.C2H6/c1-2-6-13-9-12(10-14-13)11-7-4-3-5-8-11;1-2/h2-10H,1H3;1-2H3/b6-2+;.
What are the key properties of ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene?
ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene has a molecular weight of 230.38 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene is sourced from PubChem (CID 143380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).