1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol

C12H16Br2O2S — CID 63952380

IUPAC1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2O2S/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10,15H,1-6H2
InChIKeyUJJDYSOUEJAZGS-UHFFFAOYSA-N
MW384.13 g/mol
LogP4.66
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol

1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 63952380) has the molecular formula C12H16Br2O2S and a molecular weight of 384.13 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
PubChem CID63952380
Molecular FormulaC12H16Br2O2S
Molecular Weight384.13 g/mol
Exact Mass381.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2O2S/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10,15H,1-6H2
InChIKeyUJJDYSOUEJAZGS-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
CID 115800610
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxan-2-yl)propan-1-ol
CID 104543058
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol (CID 63952380) is 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol is OC(CCC1CCCCO1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is UJJDYSOUEJAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O2S/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10,15H,1-6H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol?
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 384.13 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 63952380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).