(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol

C17H18O2S — CID 79222447

IUPAC(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C17H18O2S/c1-12(18)15-7-3-4-8-16(15)19-11-14-10-13-6-2-5-9-17(13)20-14/h2-9,12,14,18H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyDJTWQZOCNLNVMR-PUODRLBUSA-N
MW286.40 g/mol
LogP3.84
Rot. Bonds4

About (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol

(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol (PubChem CID 79222447) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
PubChem CID79222447
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C17H18O2S/c1-12(18)15-7-3-4-8-16(15)19-11-14-10-13-6-2-5-9-17(13)20-14/h2-9,12,14,18H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyDJTWQZOCNLNVMR-PUODRLBUSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 102948382
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
CID 107719822
(1S)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanamine
CID 79212649
2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403843
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 79211924
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
CID 79222757
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]propan-1-one
CID 79227434
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
2-chloro-6-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79222737

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol (CID 79222447) is (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1OCC1Cc2ccccc2S1.
What is the InChIKey of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is DJTWQZOCNLNVMR-PUODRLBUSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12(18)15-7-3-4-8-16(15)19-11-14-10-13-6-2-5-9-17(13)20-14/h2-9,12,14,18H,10-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol has a molecular weight of 286.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 79222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).