1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone

C14H17BrO2 — CID 66321803

IUPAC1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone
SMILESO=C(COCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrO2/c15-13-7-5-12(6-8-13)14(16)10-17-9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2
InChIKeyVCOOHCKETCLCTI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone

1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone (PubChem CID 66321803) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone
PubChem CID66321803
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone
SMILESO=C(COCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrO2/c15-13-7-5-12(6-8-13)14(16)10-17-9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2
InChIKeyVCOOHCKETCLCTI-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
CID 62383925
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
1-(4-bromophenyl)-2-prop-2-enoxyethanone
CID 62030798
2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
1-(4-bromophenyl)-4-(cyclopentylmethylsulfinyl)butan-1-one
CID 64641194
[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 126576809
[2-(4-bromophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 5021920
4-(cyclohexylmethoxy)-1-phenylbutan-1-one
CID 62382636
3-cyclooctylpropyl 4-bromobenzoate
CID 123141211

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone (CID 66321803) is 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone is O=C(COCC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone?
The InChIKey is VCOOHCKETCLCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-13-7-5-12(6-8-13)14(16)10-17-9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2.
What are the key properties of 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone?
1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone has a molecular weight of 297.19 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone is sourced from PubChem (CID 66321803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).