(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol

C14H15BrO2S — CID 63650136

IUPAC(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-5-12(10(2)16)13(7-9)17-8-11-4-6-14(15)18-11/h3-7,10,16H,8H2,1-2H3/t10-/m1/s1
InChIKeyDWFKWHVPOJAKFT-SNVBAGLBSA-N
MW327.24 g/mol
LogP4.45
Rot. Bonds4

About (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol

(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol (PubChem CID 63650136) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
PubChem CID63650136
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-5-12(10(2)16)13(7-9)17-8-11-4-6-14(15)18-11/h3-7,10,16H,8H2,1-2H3/t10-/m1/s1
InChIKeyDWFKWHVPOJAKFT-SNVBAGLBSA-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-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 78931628
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol (CID 63650136) is (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol is Cc1ccc([C@@H](C)O)c(OCc2ccc(Br)s2)c1.
What is the InChIKey of (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is DWFKWHVPOJAKFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9-3-5-12(10(2)16)13(7-9)17-8-11-4-6-14(15)18-11/h3-7,10,16H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol?
(1R)-1-[2-[(5-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 (1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 63650136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).