2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone

C18H19BrOS — CID 63410287

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H19BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyNMGASZQFIGDLQN-UHFFFAOYSA-N
MW363.32 g/mol
LogP5.52
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone (PubChem CID 63410287) has the molecular formula C18H19BrOS and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
PubChem CID63410287
Molecular FormulaC18H19BrOS
Molecular Weight363.32 g/mol
Exact Mass362.03
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H19BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyNMGASZQFIGDLQN-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
CID 63414703
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
CID 63414129
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417582
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
CID 104798866
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone (CID 63410287) is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone is O=C(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone?
The InChIKey is NMGASZQFIGDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrOS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone has a molecular weight of 363.32 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone is sourced from PubChem (CID 63410287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).