2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene

C16H14S — CID 77475574

IUPAC2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene
SMILESC1=CCC(c2ccc(-c3ccccc3)s2)C=C1
InChIInChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-9,11-12,14H,10H2
InChIKeyVDVSKHWSAAWRCI-UHFFFAOYSA-N
MW238.36 g/mol
LogP5.01
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene

2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene (PubChem CID 77475574) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene
PubChem CID77475574
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene
SMILESC1=CCC(c2ccc(-c3ccccc3)s2)C=C1
InChIInChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-9,11-12,14H,10H2
InChIKeyVDVSKHWSAAWRCI-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene (CID 77475574) is 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene is C1=CCC(c2ccc(-c3ccccc3)s2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene?
The InChIKey is VDVSKHWSAAWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-9,11-12,14H,10H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene?
2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene has a molecular weight of 238.36 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene is sourced from PubChem (CID 77475574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).