3-[3-(1-benzothiophen-2-yl)phenyl]phenol

C20H14OS — CID 46887555

IUPAC3-[3-(1-benzothiophen-2-yl)phenyl]phenol
SMILESOc1cccc(-c2cccc(-c3cc4ccccc4s3)c2)c1
InChIInChI=1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H
InChIKeyBQKUVAJYBNSSNI-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.94
Rot. Bonds2

About 3-[3-(1-benzothiophen-2-yl)phenyl]phenol

3-[3-(1-benzothiophen-2-yl)phenyl]phenol (PubChem CID 46887555) has the molecular formula C20H14OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[3-(1-benzothiophen-2-yl)phenyl]phenol.

Molecular Properties

Compound Name3-[3-(1-benzothiophen-2-yl)phenyl]phenol
PubChem CID46887555
Molecular FormulaC20H14OS
Molecular Weight302.40 g/mol
Exact Mass302.08
IUPAC Name3-[3-(1-benzothiophen-2-yl)phenyl]phenol
SMILESOc1cccc(-c2cccc(-c3cc4ccccc4s3)c2)c1
InChIInChI=1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H
InChIKeyBQKUVAJYBNSSNI-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzothiophen-2-yl)phenyl]phenol?
The IUPAC name of 3-[3-(1-benzothiophen-2-yl)phenyl]phenol (CID 46887555) is 3-[3-(1-benzothiophen-2-yl)phenyl]phenol.
What is the SMILES notation for 3-[3-(1-benzothiophen-2-yl)phenyl]phenol?
The canonical SMILES for 3-[3-(1-benzothiophen-2-yl)phenyl]phenol is Oc1cccc(-c2cccc(-c3cc4ccccc4s3)c2)c1.
What is the InChIKey of 3-[3-(1-benzothiophen-2-yl)phenyl]phenol?
The InChIKey is BQKUVAJYBNSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H.
What are the key properties of 3-[3-(1-benzothiophen-2-yl)phenyl]phenol?
3-[3-(1-benzothiophen-2-yl)phenyl]phenol has a molecular weight of 302.40 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzothiophen-2-yl)phenyl]phenol is sourced from PubChem (CID 46887555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).