1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol

C16H24O2S — CID 106682608

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
SMILESCOc1cc(C)cc(C)c1C(O)CC1CCSCC1
InChIInChI=1S/C16H24O2S/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-4-6-19-7-5-13/h8-9,13-14,17H,4-7,10H2,1-3H3
InChIKeyHZSDHTUNLMDCOK-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol

1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol (PubChem CID 106682608) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
PubChem CID106682608
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
SMILESCOc1cc(C)cc(C)c1C(O)CC1CCSCC1
InChIInChI=1S/C16H24O2S/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-4-6-19-7-5-13/h8-9,13-14,17H,4-7,10H2,1-3H3
InChIKeyHZSDHTUNLMDCOK-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 106682379
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
1-(5-chloro-2-methoxyphenyl)-2-(thian-4-yl)ethanol
CID 105092179
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol (CID 106682608) is 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol is COc1cc(C)cc(C)c1C(O)CC1CCSCC1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol?
The InChIKey is HZSDHTUNLMDCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-4-6-19-7-5-13/h8-9,13-14,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol?
1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol has a molecular weight of 280.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 106682608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).