2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one

C19H20BrClO2 — CID 138668806

IUPAC2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one
SMILESCCCC(C(=O)c1ccc(OCCCl)cc1)c1ccccc1Br
InChIInChI=1S/C19H20BrClO2/c1-2-5-17(16-6-3-4-7-18(16)20)19(22)14-8-10-15(11-9-14)23-13-12-21/h3-4,6-11,17H,2,5,12-13H2,1H3
InChIKeyQFNUHSWDOYIYME-UHFFFAOYSA-N
MW395.72 g/mol
LogP5.83
Rot. Bonds8

About 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one

2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one (PubChem CID 138668806) has the molecular formula C19H20BrClO2 and a molecular weight of 395.72 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one
PubChem CID138668806
Molecular FormulaC19H20BrClO2
Molecular Weight395.72 g/mol
Exact Mass394.03
IUPAC Name2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one
SMILESCCCC(C(=O)c1ccc(OCCCl)cc1)c1ccccc1Br
InChIInChI=1S/C19H20BrClO2/c1-2-5-17(16-6-3-4-7-18(16)20)19(22)14-8-10-15(11-9-14)23-13-12-21/h3-4,6-11,17H,2,5,12-13H2,1H3
InChIKeyQFNUHSWDOYIYME-UHFFFAOYSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]pentan-1-one
CID 138667876
2-chloro-1-[4-(2-chloroethoxy)phenyl]-2-methylpropan-1-one
CID 163215959
1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
1-bromo-2-(1-chloro-4-phenoxybutan-2-yl)benzene
CID 79454248
propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
CID 11694906
5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
CID 116613497
2-butoxy-2-(4-chlorobutoxy)-1-phenylethanone
CID 54147806
(2S,7S)-2,7-bis[bis(2-chloroethyl)aminomethyl]-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 99659374
2-(2-bromophenyl)-4-propylsulfonylbutanoic acid
CID 106727852
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one?
The IUPAC name of 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one (CID 138668806) is 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one?
The canonical SMILES for 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one is CCCC(C(=O)c1ccc(OCCCl)cc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one?
The InChIKey is QFNUHSWDOYIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClO2/c1-2-5-17(16-6-3-4-7-18(16)20)19(22)14-8-10-15(11-9-14)23-13-12-21/h3-4,6-11,17H,2,5,12-13H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one?
2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one has a molecular weight of 395.72 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[4-(2-chloroethoxy)phenyl]pentan-1-one is sourced from PubChem (CID 138668806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).