1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol

C14H21BrOS — CID 115790916

IUPAC1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1sccc1Br)CC1CCCCCC1
InChIInChI=1S/C14H21BrOS/c15-13-7-8-17-14(13)10-12(16)9-11-5-3-1-2-4-6-11/h7-8,11-12,16H,1-6,9-10H2
InChIKeySUGCACGZDYLHPK-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.77
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol

1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol (PubChem CID 115790916) has the molecular formula C14H21BrOS and a molecular weight of 317.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
PubChem CID115790916
Molecular FormulaC14H21BrOS
Molecular Weight317.29 g/mol
Exact Mass316.05
IUPAC Name1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1sccc1Br)CC1CCCCCC1
InChIInChI=1S/C14H21BrOS/c15-13-7-8-17-14(13)10-12(16)9-11-5-3-1-2-4-6-11/h7-8,11-12,16H,1-6,9-10H2
InChIKeySUGCACGZDYLHPK-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
CID 65148115
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol (CID 115790916) is 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol is OC(Cc1sccc1Br)CC1CCCCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol?
The InChIKey is SUGCACGZDYLHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrOS/c15-13-7-8-17-14(13)10-12(16)9-11-5-3-1-2-4-6-11/h7-8,11-12,16H,1-6,9-10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol?
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol has a molecular weight of 317.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol is sourced from PubChem (CID 115790916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).