(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone

C16H13BrCl2O2 — CID 104656961

IUPAC(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3
InChIKeyDHACWLCPODMUKZ-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.78
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone

(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone (PubChem CID 104656961) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
PubChem CID104656961
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3
InChIKeyDHACWLCPODMUKZ-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
2-(3-bromo-4-propoxybenzoyl)oxy-5-chlorobenzoic acid
CID 54855208
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
3-bromo-4-(3-bromo-4-propoxyphenyl)-4-oxobutanoic acid
CID 113438044
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone (CID 104656961) is (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone is CCCOc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone?
The InChIKey is DHACWLCPODMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone?
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone has a molecular weight of 388.09 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 104656961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).