3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol

C14H15BrO2S — CID 116756868

IUPAC3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrO2S/c1-17-14(10-5-3-2-4-6-10)13(16)8-12-7-11(15)9-18-12/h2-7,9,13-14,16H,8H2,1H3
InChIKeyZYCZQPXMWFMJNL-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol

3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116756868) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116756868
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrO2S/c1-17-14(10-5-3-2-4-6-10)13(16)8-12-7-11(15)9-18-12/h2-7,9,13-14,16H,8H2,1H3
InChIKeyZYCZQPXMWFMJNL-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-phenylbutan-2-ol
CID 65149345
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
1-methoxy-1-phenylbutan-2-ol
CID 116756893
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 60794285
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
CID 64513517
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol (CID 116756868) is 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is ZYCZQPXMWFMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-17-14(10-5-3-2-4-6-10)13(16)8-12-7-11(15)9-18-12/h2-7,9,13-14,16H,8H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol?
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 327.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116756868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).