(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol

C15H18O3S — CID 82002105

IUPAC(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCc2cccs2)c1
InChIInChI=1S/C15H18O3S/c1-11(16)14-6-5-12(17-2)10-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,16H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySZLUDQLHTJLCCG-NSHDSACASA-N
MW278.37 g/mol
LogP3.43
Rot. Bonds6

About (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol

(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol (PubChem CID 82002105) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
PubChem CID82002105
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCc2cccs2)c1
InChIInChI=1S/C15H18O3S/c1-11(16)14-6-5-12(17-2)10-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,16H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySZLUDQLHTJLCCG-NSHDSACASA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63775137
1-[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 63774373
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol (CID 82002105) is (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol is COc1ccc([C@H](C)O)c(OCCc2cccs2)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The InChIKey is SZLUDQLHTJLCCG-NSHDSACASA-N. The full InChI is InChI=1S/C15H18O3S/c1-11(16)14-6-5-12(17-2)10-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,16H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol has a molecular weight of 278.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 82002105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).