[(4-bromophenyl)-cyclohexylmethyl] acetate

C15H19BrO2 — CID 22503006

IUPAC[(4-bromophenyl)-cyclohexylmethyl] acetate
SMILESCC(=O)OC(c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H19BrO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h7-10,12,15H,2-6H2,1H3
InChIKeyRYDNKOBRWZMXIN-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.63
Rot. Bonds3

About [(4-bromophenyl)-cyclohexylmethyl] acetate

[(4-bromophenyl)-cyclohexylmethyl] acetate (PubChem CID 22503006) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is [(4-bromophenyl)-cyclohexylmethyl] acetate.

Molecular Properties

Compound Name[(4-bromophenyl)-cyclohexylmethyl] acetate
PubChem CID22503006
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name[(4-bromophenyl)-cyclohexylmethyl] acetate
SMILESCC(=O)OC(c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H19BrO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h7-10,12,15H,2-6H2,1H3
InChIKeyRYDNKOBRWZMXIN-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
[cyclohexyl-(4-methylphenyl)methyl] 2-methylbutanoate
CID 59254174
[cyclohexyl(naphthalen-1-yl)methyl] acetate
CID 150589052
ethyl (2S)-2-(4-bromophenyl)-2-cyclopentylacetate
CID 124638237
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
[(R)-[(1R,2S)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 11879476
[(R)-[(1S,2R)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 6543196
[4-[acetyloxy(piperidin-2-yl)methyl]phenyl] acetate
CID 154219791
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
[1-(4-bromophenyl)-2,2,2-trichloroethyl] acetate
CID 2795274
1-cyclopentylethyl acetate
CID 12705472
1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
CID 115047951

Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-cyclohexylmethyl] acetate?
The IUPAC name of [(4-bromophenyl)-cyclohexylmethyl] acetate (CID 22503006) is [(4-bromophenyl)-cyclohexylmethyl] acetate.
What is the SMILES notation for [(4-bromophenyl)-cyclohexylmethyl] acetate?
The canonical SMILES for [(4-bromophenyl)-cyclohexylmethyl] acetate is CC(=O)OC(c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of [(4-bromophenyl)-cyclohexylmethyl] acetate?
The InChIKey is RYDNKOBRWZMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h7-10,12,15H,2-6H2,1H3.
What are the key properties of [(4-bromophenyl)-cyclohexylmethyl] acetate?
[(4-bromophenyl)-cyclohexylmethyl] acetate has a molecular weight of 311.22 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-cyclohexylmethyl] acetate is sourced from PubChem (CID 22503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).