2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol

C14H20O2S2 — CID 113299385

IUPAC2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
SMILESCOc1cccc(CC(O)C2SCCSC2C)c1
InChIInChI=1S/C14H20O2S2/c1-10-14(18-7-6-17-10)13(15)9-11-4-3-5-12(8-11)16-2/h3-5,8,10,13-15H,6-7,9H2,1-2H3
InChIKeyUNXKKKGXLRFXJT-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol

2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol (PubChem CID 113299385) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
PubChem CID113299385
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
SMILESCOc1cccc(CC(O)C2SCCSC2C)c1
InChIInChI=1S/C14H20O2S2/c1-10-14(18-7-6-17-10)13(15)9-11-4-3-5-12(8-11)16-2/h3-5,8,10,13-15H,6-7,9H2,1-2H3
InChIKeyUNXKKKGXLRFXJT-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene
CID 63017777
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
CID 116711612
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol (CID 113299385) is 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol is COc1cccc(CC(O)C2SCCSC2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol?
The InChIKey is UNXKKKGXLRFXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S2/c1-10-14(18-7-6-17-10)13(15)9-11-4-3-5-12(8-11)16-2/h3-5,8,10,13-15H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol?
2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol has a molecular weight of 284.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol is sourced from PubChem (CID 113299385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).