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

C8H9ClO3S — CID 138718325

IUPAC(5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
SMILESCOc1c(CO)cc(Cl)cc1SO
InChIInChI=1S/C8H9ClO3S/c1-12-8-5(4-10)2-6(9)3-7(8)13-11/h2-3,10-11H,4H2,1H3
InChIKeyUBZMROJFUBUHQZ-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.41
Rot. Bonds3

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

(5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol (PubChem CID 138718325) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
PubChem CID138718325
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name(5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
SMILESCOc1c(CO)cc(Cl)cc1SO
InChIInChI=1S/C8H9ClO3S/c1-12-8-5(4-10)2-6(9)3-7(8)13-11/h2-3,10-11H,4H2,1H3
InChIKeyUBZMROJFUBUHQZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-Chloro-2-methoxyphenyl)methanol
CID 4357585
5-chloro-3-(hydroxymethyl)-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65729207
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65743646
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 116318834
[5-Chloro-2-(difluoromethoxy)-3-methylsulfonylphenyl]methanol
CID 172416139
4-Chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
CID 10932603
5-Chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran
CID 134260535
(5-Chloro-2-methoxy-3-sulfanylphenyl)methanol
CID 134260547
5-Chloro-3-(chlorosulfonyl)-2-methoxybenzyl acetate
CID 138675847
(3-(Benzylthio)-5-chloro-2-methoxyphenyl)methanol
CID 138675885
Methyl 5-chloro-3-(hydroxymethyl)-2-methoxybenzenesulfinate
CID 138718375

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol?
The IUPAC name of (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol (CID 138718325) is (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol?
The canonical SMILES for (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol is COc1c(CO)cc(Cl)cc1SO.
What is the InChIKey of (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol?
The InChIKey is UBZMROJFUBUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-12-8-5(4-10)2-6(9)3-7(8)13-11/h2-3,10-11H,4H2,1H3.
What are the key properties of (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol?
(5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol has a molecular weight of 220.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol is sourced from PubChem (CID 138718325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).