(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone

C16H13Br2ClO2 — CID 104657090

IUPAC(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Br)c(Cl)c2)cc1Br
InChIInChI=1S/C16H13Br2ClO2/c1-2-7-21-15-6-4-10(8-13(15)18)16(20)11-3-5-12(17)14(19)9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyKPCRNIWSCAIWIA-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.88
Rot. Bonds5

About (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone

(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone (PubChem CID 104657090) has the molecular formula C16H13Br2ClO2 and a molecular weight of 432.54 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
PubChem CID104657090
Molecular FormulaC16H13Br2ClO2
Molecular Weight432.54 g/mol
Exact Mass429.90
IUPAC Name(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Br)c(Cl)c2)cc1Br
InChIInChI=1S/C16H13Br2ClO2/c1-2-7-21-15-6-4-10(8-13(15)18)16(20)11-3-5-12(17)14(19)9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyKPCRNIWSCAIWIA-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(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-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
(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
(4-benzoylphenyl) 3-bromo-4-propoxybenzoate
CID 43910954

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone (CID 104657090) is (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(Br)c(Cl)c2)cc1Br.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The InChIKey is KPCRNIWSCAIWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClO2/c1-2-7-21-15-6-4-10(8-13(15)18)16(20)11-3-5-12(17)14(19)9-11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone has a molecular weight of 432.54 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone is sourced from PubChem (CID 104657090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).