2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol

C15H17BrOS — CID 66057841

IUPAC2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1sccc1Br
InChIInChI=1S/C15H17BrOS/c1-11-4-2-3-5-13(11)8-12(10-17)9-15-14(16)6-7-18-15/h2-7,12,17H,8-10H2,1H3
InChIKeyIQTSALIMMJVWAT-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.21
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 66057841) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID66057841
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1sccc1Br
InChIInChI=1S/C15H17BrOS/c1-11-4-2-3-5-13(11)8-12(10-17)9-15-14(16)6-7-18-15/h2-7,12,17H,8-10H2,1H3
InChIKeyIQTSALIMMJVWAT-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66058825
2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
CID 63215836
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 66057841) is 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is IQTSALIMMJVWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-11-4-2-3-5-13(11)8-12(10-17)9-15-14(16)6-7-18-15/h2-7,12,17H,8-10H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 325.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66057841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).