3-phenoxy-2-phenyl-1-benzothiophene

C20H14OS — CID 11150817

IUPAC3-phenoxy-2-phenyl-1-benzothiophene
SMILESc1ccc(Oc2c(-c3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C20H14OS/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)17-13-7-8-14-18(17)22-20/h1-14H
InChIKeyDYDRCCSRXYXSFM-UHFFFAOYSA-N
MW302.40 g/mol
LogP6.36
Rot. Bonds3

About 3-phenoxy-2-phenyl-1-benzothiophene

3-phenoxy-2-phenyl-1-benzothiophene (PubChem CID 11150817) has the molecular formula C20H14OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-phenoxy-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name3-phenoxy-2-phenyl-1-benzothiophene
PubChem CID11150817
Molecular FormulaC20H14OS
Molecular Weight302.40 g/mol
Exact Mass302.08
IUPAC Name3-phenoxy-2-phenyl-1-benzothiophene
SMILESc1ccc(Oc2c(-c3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C20H14OS/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)17-13-7-8-14-18(17)22-20/h1-14H
InChIKeyDYDRCCSRXYXSFM-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-2-phenyl-1-benzothiophene?
The IUPAC name of 3-phenoxy-2-phenyl-1-benzothiophene (CID 11150817) is 3-phenoxy-2-phenyl-1-benzothiophene.
What is the SMILES notation for 3-phenoxy-2-phenyl-1-benzothiophene?
The canonical SMILES for 3-phenoxy-2-phenyl-1-benzothiophene is c1ccc(Oc2c(-c3ccccc3)sc3ccccc23)cc1.
What is the InChIKey of 3-phenoxy-2-phenyl-1-benzothiophene?
The InChIKey is DYDRCCSRXYXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14OS/c1-3-9-15(10-4-1)20-19(21-16-11-5-2-6-12-16)17-13-7-8-14-18(17)22-20/h1-14H.
What are the key properties of 3-phenoxy-2-phenyl-1-benzothiophene?
3-phenoxy-2-phenyl-1-benzothiophene has a molecular weight of 302.40 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-2-phenyl-1-benzothiophene is sourced from PubChem (CID 11150817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).