3-[4-(5-chlorothiophen-2-yl)phenyl]phenol

C16H11ClOS — CID 46887551

IUPAC3-[4-(5-chlorothiophen-2-yl)phenyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C16H11ClOS/c17-16-9-8-15(19-16)12-6-4-11(5-7-12)13-2-1-3-14(18)10-13/h1-10,18H
InChIKeyABAQWDXYFZGNGR-UHFFFAOYSA-N
MW286.78 g/mol
LogP5.44
Rot. Bonds2

About 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol

3-[4-(5-chlorothiophen-2-yl)phenyl]phenol (PubChem CID 46887551) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)phenyl]phenol
PubChem CID46887551
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name3-[4-(5-chlorothiophen-2-yl)phenyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C16H11ClOS/c17-16-9-8-15(19-16)12-6-4-11(5-7-12)13-2-1-3-14(18)10-13/h1-10,18H
InChIKeyABAQWDXYFZGNGR-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.78
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol (CID 46887551) is 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol is Oc1cccc(-c2ccc(-c3ccc(Cl)s3)cc2)c1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol?
The InChIKey is ABAQWDXYFZGNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c17-16-9-8-15(19-16)12-6-4-11(5-7-12)13-2-1-3-14(18)10-13/h1-10,18H.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol?
3-[4-(5-chlorothiophen-2-yl)phenyl]phenol has a molecular weight of 286.78 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)phenyl]phenol is sourced from PubChem (CID 46887551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).