(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol

C12H16Br2OS — CID 107969704

IUPAC(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc(Br)sc2Br)C1
InChIInChI=1S/C12H16Br2OS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h6-8,11,15H,2-5H2,1H3
InChIKeyKDEZWBCSNCEUSG-UHFFFAOYSA-N
MW368.13 g/mol
LogP5.13
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol

(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol (PubChem CID 107969704) has the molecular formula C12H16Br2OS and a molecular weight of 368.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol
PubChem CID107969704
Molecular FormulaC12H16Br2OS
Molecular Weight368.13 g/mol
Exact Mass365.93
IUPAC Name(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc(Br)sc2Br)C1
InChIInChI=1S/C12H16Br2OS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h6-8,11,15H,2-5H2,1H3
InChIKeyKDEZWBCSNCEUSG-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.13
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
1-cyclopentyl-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 43486979
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylcyclohexyl)methanol
CID 115808210
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(5-chloro-1,3-thiazol-2-yl)-(3-methylcyclohexyl)methanol
CID 107125095
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
6-[(2,5-dibromothiophen-3-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 43345088
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
CID 104658787
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol (CID 107969704) is (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2cc(Br)sc2Br)C1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol?
The InChIKey is KDEZWBCSNCEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2OS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h6-8,11,15H,2-5H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol?
(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol has a molecular weight of 368.13 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 107969704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).