(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol

C14H15BrO2S — CID 78934170

IUPAC(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2sccc2Br)c([C@H](C)O)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-13(11(7-9)10(2)16)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3/t10-/m0/s1
InChIKeyGIXGYKFREWTMHG-JTQLQIEISA-N
MW327.24 g/mol
LogP4.45
Rot. Bonds4

About (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol

(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol (PubChem CID 78934170) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
PubChem CID78934170
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2sccc2Br)c([C@H](C)O)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-13(11(7-9)10(2)16)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3/t10-/m0/s1
InChIKeyGIXGYKFREWTMHG-JTQLQIEISA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 106264403
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
CID 63366655
(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol
CID 63365579
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
N-[1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003640
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol (CID 78934170) is (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(OCc2sccc2Br)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is GIXGYKFREWTMHG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9-3-4-13(11(7-9)10(2)16)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol?
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 327.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 78934170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).