3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol

C15H15ClOS — CID 142895184

IUPAC3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol
SMILESOCCC(Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClOS/c16-13-8-4-5-9-15(13)18-14(10-11-17)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2
InChIKeyGTOMIKDVSMPVTG-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.56
Rot. Bonds5

About 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol

3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol (PubChem CID 142895184) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol
PubChem CID142895184
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol
SMILESOCCC(Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClOS/c16-13-8-4-5-9-15(13)18-14(10-11-17)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2
InChIKeyGTOMIKDVSMPVTG-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
3-(2-chlorophenyl)sulfanyl-3-phenylpropanoic acid
CID 63098049
3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 159931174
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
3-(4-nitrophenyl)sulfanyl-3-phenylpropan-1-ol
CID 170764570
2-phenyl-2-phenylsulfanylethanol
CID 11264720
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
1-phenylpropane-1,3-diol
CID 572059
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
1-chloro-2-hydroxysulfanylbenzene
CID 67172287

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol (CID 142895184) is 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol is OCCC(Sc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol?
The InChIKey is GTOMIKDVSMPVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c16-13-8-4-5-9-15(13)18-14(10-11-17)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol?
3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol has a molecular weight of 278.80 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol is sourced from PubChem (CID 142895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).