1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol

C14H15BrO2S — CID 63651959

IUPAC1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2sccc2Br)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-11(10(2)16)13(7-9)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3
InChIKeyNUCDZHJSCRSLAC-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.45
Rot. Bonds4

About 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol

1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol (PubChem CID 63651959) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
PubChem CID63651959
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2sccc2Br)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-11(10(2)16)13(7-9)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3
InChIKeyNUCDZHJSCRSLAC-UHFFFAOYSA-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

(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63650136
1-[4-bromo-2-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 102946185
N-[1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003640
(1S)-1-[1-[(3-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanol
CID 63365579
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol (CID 63651959) is 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol is Cc1ccc(C(C)O)c(OCc2sccc2Br)c1.
What is the InChIKey of 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is NUCDZHJSCRSLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9-3-4-11(10(2)16)13(7-9)17-8-14-12(15)5-6-18-14/h3-7,10,16H,8H2,1-2H3.
What are the key properties of 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
1-[2-[(3-bromothiophen-2-yl)methoxy]-4-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 1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 63651959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).