[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol

C14H19BrOS — CID 67484936

IUPAC[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol
SMILESOCC1(c2ccc(Br)s2)CC1C1CCCCC1
InChIInChI=1S/C14H19BrOS/c15-13-7-6-12(17-13)14(9-16)8-11(14)10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9H2
InChIKeyVSEOLJKMNGNHCC-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.34
Rot. Bonds3

About [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol

[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol (PubChem CID 67484936) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol
PubChem CID67484936
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol
SMILESOCC1(c2ccc(Br)s2)CC1C1CCCCC1
InChIInChI=1S/C14H19BrOS/c15-13-7-6-12(17-13)14(9-16)8-11(14)10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9H2
InChIKeyVSEOLJKMNGNHCC-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(5-Bromothiophen-2-yl)cyclopropyl]methanol
CID 155821129
2-[5-Bromo-4-(2,3-difluorophenyl)thiophen-2-yl]ethanol
CID 155683853
2-(3-Bromo-5-fluorothiophen-2-yl)-2-(2-cyclohexylethyl)pentane-1,3-diol
CID 155776647
1-(5-Bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769328
3-(5-Bromothiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 79438410
3-(5-Bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79442867
2-[(5-Bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79447631
3-(5-Bromothiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79449322
2-[(5-Bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79449700
2-[(5-Bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79450241
2-(5-Bromothiophen-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 105087244
2-(5-Bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105087275

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol?
The IUPAC name of [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol (CID 67484936) is [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol is OCC1(c2ccc(Br)s2)CC1C1CCCCC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol?
The InChIKey is VSEOLJKMNGNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c15-13-7-6-12(17-13)14(9-16)8-11(14)10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9H2.
What are the key properties of [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol?
[1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol has a molecular weight of 315.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropyl]methanol is sourced from PubChem (CID 67484936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).