2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol

C14H14Br2OS — CID 66037859

IUPAC2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1cc(Br)cs1)Cc1ccccc1Br
InChIInChI=1S/C14H14Br2OS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10,17H,5-6,8H2
InChIKeyRBOQQMLEZUUWLL-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.67
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol

2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol (PubChem CID 66037859) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
PubChem CID66037859
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1cc(Br)cs1)Cc1ccccc1Br
InChIInChI=1S/C14H14Br2OS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10,17H,5-6,8H2
InChIKeyRBOQQMLEZUUWLL-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66057797
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
CID 62529611
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
CID 79223637
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol (CID 66037859) is 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol is OCC(Cc1cc(Br)cs1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The InChIKey is RBOQQMLEZUUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10,17H,5-6,8H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol has a molecular weight of 390.14 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 66037859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).