(4-bromophenyl)-cycloheptylmethanone

C14H17BrO — CID 63492666

IUPAC(4-bromophenyl)-cycloheptylmethanone
SMILESO=C(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C14H17BrO/c15-13-9-7-12(8-10-13)14(16)11-5-3-1-2-4-6-11/h7-11H,1-6H2
InChIKeyAETBCQZALVDNEO-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.60
Rot. Bonds2

About (4-bromophenyl)-cycloheptylmethanone

(4-bromophenyl)-cycloheptylmethanone (PubChem CID 63492666) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is (4-bromophenyl)-cycloheptylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-cycloheptylmethanone
PubChem CID63492666
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name(4-bromophenyl)-cycloheptylmethanone
SMILESO=C(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C14H17BrO/c15-13-9-7-12(8-10-13)14(16)11-5-3-1-2-4-6-11/h7-11H,1-6H2
InChIKeyAETBCQZALVDNEO-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromocyclohexyl)-(4-bromophenyl)methanone
CID 58764697
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
CID 12943328
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
(4-bromophenyl)-(thian-2-yl)methanone
CID 80596285
3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
CID 4000745
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid
CID 82308028

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-cycloheptylmethanone?
The IUPAC name of (4-bromophenyl)-cycloheptylmethanone (CID 63492666) is (4-bromophenyl)-cycloheptylmethanone.
What is the SMILES notation for (4-bromophenyl)-cycloheptylmethanone?
The canonical SMILES for (4-bromophenyl)-cycloheptylmethanone is O=C(c1ccc(Br)cc1)C1CCCCCC1.
What is the InChIKey of (4-bromophenyl)-cycloheptylmethanone?
The InChIKey is AETBCQZALVDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c15-13-9-7-12(8-10-13)14(16)11-5-3-1-2-4-6-11/h7-11H,1-6H2.
What are the key properties of (4-bromophenyl)-cycloheptylmethanone?
(4-bromophenyl)-cycloheptylmethanone has a molecular weight of 281.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-cycloheptylmethanone is sourced from PubChem (CID 63492666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).