2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone

C15H19BrO3 — CID 103449739

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2(O)CCCCC2)c1
InChIInChI=1S/C15H19BrO3/c1-19-12-5-6-13(16)11(9-12)10-14(17)15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyRAHKCAHYHINBDM-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone (PubChem CID 103449739) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
PubChem CID103449739
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2(O)CCCCC2)c1
InChIInChI=1S/C15H19BrO3/c1-19-12-5-6-13(16)11(9-12)10-14(17)15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyRAHKCAHYHINBDM-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116550607
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
2-(3-bromo-2,6-difluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106266312
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447608
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-one
CID 114973628
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone (CID 103449739) is 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone is COc1ccc(Br)c(CC(=O)C2(O)CCCCC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone?
The InChIKey is RAHKCAHYHINBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-19-12-5-6-13(16)11(9-12)10-14(17)15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone has a molecular weight of 327.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 103449739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).