3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

C14H15BrOS — CID 79420784

IUPAC3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)Cc1ccc(Br)s1
InChIInChI=1S/C14H15BrOS/c1-10-4-2-3-5-13(10)11(9-16)8-12-6-7-14(15)17-12/h2-7,11,16H,8-9H2,1H3
InChIKeyHGEIJZOQFLLONA-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.14
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 79420784) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
PubChem CID79420784
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)Cc1ccc(Br)s1
InChIInChI=1S/C14H15BrOS/c1-10-4-2-3-5-13(10)11(9-16)8-12-6-7-14(15)17-12/h2-7,11,16H,8-9H2,1H3
InChIKeyHGEIJZOQFLLONA-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79424431
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79418016
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547
3-(2,3-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 107310734
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (CID 79420784) is 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CO)Cc1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is HGEIJZOQFLLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-10-4-2-3-5-13(10)11(9-16)8-12-6-7-14(15)17-12/h2-7,11,16H,8-9H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 311.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79420784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).