(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol

C14H21BrOS — CID 102829789

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc(Br)c(C)s2)CC1
InChIInChI=1S/C14H21BrOS/c1-3-10-4-6-11(7-5-10)14(16)13-8-12(15)9(2)17-13/h8,10-11,14,16H,3-7H2,1-2H3
InChIKeyGXEUHCJGCJFOII-UHFFFAOYSA-N
MW317.29 g/mol
LogP5.07
Rot. Bonds3

About (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol

(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol (PubChem CID 102829789) has the molecular formula C14H21BrOS and a molecular weight of 317.29 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
PubChem CID102829789
Molecular FormulaC14H21BrOS
Molecular Weight317.29 g/mol
Exact Mass316.05
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc(Br)c(C)s2)CC1
InChIInChI=1S/C14H21BrOS/c1-3-10-4-6-11(7-5-10)14(16)13-8-12(15)9(2)17-13/h8,10-11,14,16H,3-7H2,1-2H3
InChIKeyGXEUHCJGCJFOII-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490
(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807244
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
CID 115807430
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
[(4,5-dimethylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313022
(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807295
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol (CID 102829789) is (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)c2cc(Br)c(C)s2)CC1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol?
The InChIKey is GXEUHCJGCJFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrOS/c1-3-10-4-6-11(7-5-10)14(16)13-8-12(15)9(2)17-13/h8,10-11,14,16H,3-7H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol has a molecular weight of 317.29 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 102829789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).