(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol

C14H19ClO2S2 — CID 103345211

IUPAC(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CSC(C)C(C)S1
InChIInChI=1S/C14H19ClO2S2/c1-8-9(2)19-13(7-18-8)14(16)11-6-10(15)4-5-12(11)17-3/h4-6,8-9,13-14,16H,7H2,1-3H3
InChIKeyFRDSLZYLJNDERD-UHFFFAOYSA-N
MW318.89 g/mol
LogP4.01
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol

(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol (PubChem CID 103345211) has the molecular formula C14H19ClO2S2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
PubChem CID103345211
Molecular FormulaC14H19ClO2S2
Molecular Weight318.89 g/mol
Exact Mass318.05
IUPAC Name(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CSC(C)C(C)S1
InChIInChI=1S/C14H19ClO2S2/c1-8-9(2)19-13(7-18-8)14(16)11-6-10(15)4-5-12(11)17-3/h4-6,8-9,13-14,16H,7H2,1-3H3
InChIKeyFRDSLZYLJNDERD-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
CID 115386747
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
(4-chlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345442
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 104546198
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol (CID 103345211) is (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol is COc1ccc(Cl)cc1C(O)C1CSC(C)C(C)S1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The InChIKey is FRDSLZYLJNDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S2/c1-8-9(2)19-13(7-18-8)14(16)11-6-10(15)4-5-12(11)17-3/h4-6,8-9,13-14,16H,7H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol has a molecular weight of 318.89 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 103345211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).