(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol

C15H15ClO2S — CID 138675885

IUPAC(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol
SMILESCOc1c(CO)cc(Cl)cc1SCc1ccccc1
InChIInChI=1S/C15H15ClO2S/c1-18-15-12(9-17)7-13(16)8-14(15)19-10-11-5-3-2-4-6-11/h2-8,17H,9-10H2,1H3
InChIKeyZDWQOZFCGIMVKZ-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.13
Rot. Bonds5

About (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol

(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol (PubChem CID 138675885) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol
PubChem CID138675885
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol
SMILESCOc1c(CO)cc(Cl)cc1SCc1ccccc1
InChIInChI=1S/C15H15ClO2S/c1-18-15-12(9-17)7-13(16)8-14(15)19-10-11-5-3-2-4-6-11/h2-8,17H,9-10H2,1H3
InChIKeyZDWQOZFCGIMVKZ-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
2-(5-Chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol
CID 70808171
4-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 61031722
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 62000142
1-(5-Chloro-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053249
1-(5-Chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66053443
1-(5-Chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 66071578
1-(5-Chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66071640
1-(5-Chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66071784
1-(5-Chloro-2-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071845
[4-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenyl]methanol
CID 104068897
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 104590093

Frequently Asked Questions

What is the IUPAC name of (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol?
The IUPAC name of (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol (CID 138675885) is (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol is COc1c(CO)cc(Cl)cc1SCc1ccccc1.
What is the InChIKey of (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol?
The InChIKey is ZDWQOZFCGIMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-18-15-12(9-17)7-13(16)8-14(15)19-10-11-5-3-2-4-6-11/h2-8,17H,9-10H2,1H3.
What are the key properties of (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol?
(3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol has a molecular weight of 294.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylsulfanyl-5-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 138675885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).