3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol

C11H15ClO3S — CID 71862901

IUPAC3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
SMILESCOc1ccc(Cl)cc1CSCC(O)CO
InChIInChI=1S/C11H15ClO3S/c1-15-11-3-2-9(12)4-8(11)6-16-7-10(14)5-13/h2-4,10,13-14H,5-7H2,1H3
InChIKeyOYUQXEMIZMEWFC-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.93
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol

3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol (PubChem CID 71862901) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
PubChem CID71862901
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
SMILESCOc1ccc(Cl)cc1CSCC(O)CO
InChIInChI=1S/C11H15ClO3S/c1-15-11-3-2-9(12)4-8(11)6-16-7-10(14)5-13/h2-4,10,13-14H,5-7H2,1H3
InChIKeyOYUQXEMIZMEWFC-UHFFFAOYSA-N
XLogP1.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79682242
3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 84585786
1-[3-(2,3-dihydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 79682975
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834
3-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methylsulfanyl]propane-1,2-diol
CID 79672170
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-2-methylpropanoic acid
CID 81229977
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol (CID 71862901) is 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol is COc1ccc(Cl)cc1CSCC(O)CO.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol?
The InChIKey is OYUQXEMIZMEWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-15-11-3-2-9(12)4-8(11)6-16-7-10(14)5-13/h2-4,10,13-14H,5-7H2,1H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol?
3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol has a molecular weight of 262.76 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 71862901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).