(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol

C13H19BrOS — CID 105104394

IUPAC(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2csc(Br)c2)C1
InChIInChI=1S/C13H19BrOS/c1-2-9-4-3-5-10(6-9)13(15)11-7-12(14)16-8-11/h7-10,13,15H,2-6H2,1H3
InChIKeyNMXPSWJDDWXPSJ-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.76
Rot. Bonds3

About (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol

(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol (PubChem CID 105104394) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
PubChem CID105104394
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2csc(Br)c2)C1
InChIInChI=1S/C13H19BrOS/c1-2-9-4-3-5-10(6-9)13(15)11-7-12(14)16-8-11/h7-10,13,15H,2-6H2,1H3
InChIKeyNMXPSWJDDWXPSJ-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol
CID 160948518
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 107985730
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
1-[(5-bromothiophen-3-yl)-hydroxymethyl]-3-ethylcyclohexane-1-carbonitrile
CID 112739876
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methanol
CID 105104447

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol (CID 105104394) is (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2csc(Br)c2)C1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol?
The InChIKey is NMXPSWJDDWXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-2-9-4-3-5-10(6-9)13(15)11-7-12(14)16-8-11/h7-10,13,15H,2-6H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol?
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol has a molecular weight of 303.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 105104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).