4-[3-(4-chlorophenoxy)propylsulfanyl]phenol

C15H15ClO2S — CID 54910973

IUPAC4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
SMILESOc1ccc(SCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO2S/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9,17H,1,10-11H2
InChIKeyVZTNDTWHXMOMKR-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.61
Rot. Bonds6

About 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol

4-[3-(4-chlorophenoxy)propylsulfanyl]phenol (PubChem CID 54910973) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol.

Molecular Properties

Compound Name4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
PubChem CID54910973
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
SMILESOc1ccc(SCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO2S/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9,17H,1,10-11H2
InChIKeyVZTNDTWHXMOMKR-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
CID 7629751
4-[2-(4-chlorophenyl)sulfanylethoxy]aniline
CID 43174483
4-[2-(4-chlorophenyl)sulfanylethoxy]benzoic acid
CID 20992125
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
2-[4-[2-(4-chlorophenoxy)ethylsulfanyl]phenyl]acetic acid
CID 64928357
1-chloro-4-(5-chloropentylsulfanyl)benzene
CID 43348477
3-[3-(4-chlorophenoxy)propylsulfanyl]pyrazin-2-amine
CID 106678769
2-[3-(4-chlorophenoxy)propylsulfanyl]acetic acid
CID 43242208
2-[4-(4-chlorophenoxy)butylsulfanyl]pyrimidine
CID 2183668
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol?
The IUPAC name of 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol (CID 54910973) is 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol.
What is the SMILES notation for 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol?
The canonical SMILES for 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol is Oc1ccc(SCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol?
The InChIKey is VZTNDTWHXMOMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9,17H,1,10-11H2.
What are the key properties of 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol?
4-[3-(4-chlorophenoxy)propylsulfanyl]phenol has a molecular weight of 294.80 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenoxy)propylsulfanyl]phenol is sourced from PubChem (CID 54910973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).