4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol

C15H15ClO2S — CID 14468416

IUPAC4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol
SMILESOCC(Cc1cc(Cl)ccc1O)Sc1ccccc1
InChIInChI=1S/C15H15ClO2S/c16-12-6-7-15(18)11(8-12)9-14(10-17)19-13-4-2-1-3-5-13/h1-8,14,17-18H,9-10H2
InChIKeyXBLYLQIPQHDVHM-UHFFFAOYSA-N
MW294.80 g/mol
LogP3.74
Rot. Bonds5

About 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol

4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol (PubChem CID 14468416) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol
PubChem CID14468416
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol
SMILESOCC(Cc1cc(Cl)ccc1O)Sc1ccccc1
InChIInChI=1S/C15H15ClO2S/c16-12-6-7-15(18)11(8-12)9-14(10-17)19-13-4-2-1-3-5-13/h1-8,14,17-18H,9-10H2
InChIKeyXBLYLQIPQHDVHM-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol?
The IUPAC name of 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol (CID 14468416) is 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol.
What is the SMILES notation for 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol?
The canonical SMILES for 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol is OCC(Cc1cc(Cl)ccc1O)Sc1ccccc1.
What is the InChIKey of 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol?
The InChIKey is XBLYLQIPQHDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c16-12-6-7-15(18)11(8-12)9-14(10-17)19-13-4-2-1-3-5-13/h1-8,14,17-18H,9-10H2.
What are the key properties of 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol?
4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol has a molecular weight of 294.80 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol is sourced from PubChem (CID 14468416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).