1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol

C15H21BrO2S — CID 66055685

IUPAC1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
SMILESOC(CCCC1CCCO1)CSc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO2S/c16-12-6-8-15(9-7-12)19-11-13(17)3-1-4-14-5-2-10-18-14/h6-9,13-14,17H,1-5,10-11H2
InChIKeySFFLQBRBDCGCFE-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.25
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol

1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol (PubChem CID 66055685) has the molecular formula C15H21BrO2S and a molecular weight of 345.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
PubChem CID66055685
Molecular FormulaC15H21BrO2S
Molecular Weight345.30 g/mol
Exact Mass344.04
IUPAC Name1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
SMILESOC(CCCC1CCCO1)CSc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO2S/c16-12-6-8-15(9-7-12)19-11-13(17)3-1-4-14-5-2-10-18-14/h6-9,13-14,17H,1-5,10-11H2
InChIKeySFFLQBRBDCGCFE-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
CID 43345398
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol (CID 66055685) is 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol is OC(CCCC1CCCO1)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol?
The InChIKey is SFFLQBRBDCGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2S/c16-12-6-8-15(9-7-12)19-11-13(17)3-1-4-14-5-2-10-18-14/h6-9,13-14,17H,1-5,10-11H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol?
1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol has a molecular weight of 345.30 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 66055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).