2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone

C17H23BrO2 — CID 116750764

IUPAC2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2Br)CCCCCC1
InChIInChI=1S/C17H23BrO2/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3
InChIKeyBHZMVDQHKCLMMW-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone

2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone (PubChem CID 116750764) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
PubChem CID116750764
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2Br)CCCCCC1
InChIInChI=1S/C17H23BrO2/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3
InChIKeyBHZMVDQHKCLMMW-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748785
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone (CID 116750764) is 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone is CCOC1(C(=O)Cc2ccccc2Br)CCCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone?
The InChIKey is BHZMVDQHKCLMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone?
2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone has a molecular weight of 339.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone is sourced from PubChem (CID 116750764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).