(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol

C18H20O2S — CID 79215081

IUPAC(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CSc3ccccc32)c1
InChIInChI=1S/C18H20O2S/c1-12-7-8-15(13(2)19)17(9-12)20-10-14-11-21-18-6-4-3-5-16(14)18/h3-9,13-14,19H,10-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyGUCMYVPESUHJRJ-LSLKUGRBSA-N
MW300.42 g/mol
LogP4.32
Rot. Bonds4

About (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol

(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol (PubChem CID 79215081) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
PubChem CID79215081
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CSc3ccccc32)c1
InChIInChI=1S/C18H20O2S/c1-12-7-8-15(13(2)19)17(9-12)20-10-14-11-21-18-6-4-3-5-16(14)18/h3-9,13-14,19H,10-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyGUCMYVPESUHJRJ-LSLKUGRBSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 79215174
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-methylbenzoic acid
CID 79205566
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
1-(5-methyl-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117201801

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol (CID 79215081) is (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol is Cc1ccc([C@H](C)O)c(OCC2CSc3ccccc32)c1.
What is the InChIKey of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol?
The InChIKey is GUCMYVPESUHJRJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H20O2S/c1-12-7-8-15(13(2)19)17(9-12)20-10-14-11-21-18-6-4-3-5-16(14)18/h3-9,13-14,19H,10-11H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol?
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol has a molecular weight of 300.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol is sourced from PubChem (CID 79215081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).