1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol

C15H17BrOS — CID 65146285

IUPAC1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(Br)cs2)cc1C
InChIInChI=1S/C15H17BrOS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9,17H,8H2,1-3H3
InChIKeyFZBJJRPEXNBVGE-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.58
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol

1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 65146285) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
PubChem CID65146285
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(Br)cs2)cc1C
InChIInChI=1S/C15H17BrOS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9,17H,8H2,1-3H3
InChIKeyFZBJJRPEXNBVGE-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 62621109
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125408
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
CID 65146600
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
4-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropan-2-yl]aniline
CID 80556115
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
CID 79819846
2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol
CID 79568334
2-[4-[(4-bromothiophen-2-yl)methyl]phenyl]-2-methylpropanoic acid
CID 84612021

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol (CID 65146285) is 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2cc(Br)cs2)cc1C.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is FZBJJRPEXNBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol?
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 325.27 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 65146285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).