(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone

C16H13Br2ClO2 — CID 104657103

IUPAC(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C16H13Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9H,2,8H2,1H3
InChIKeyUNMJVIMMQSCCMJ-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.88
Rot. Bonds5

About (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone

(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone (PubChem CID 104657103) has the molecular formula C16H13Br2ClO2 and a molecular weight of 432.54 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
PubChem CID104657103
Molecular FormulaC16H13Br2ClO2
Molecular Weight432.54 g/mol
Exact Mass429.90
IUPAC Name(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C16H13Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9H,2,8H2,1H3
InChIKeyUNMJVIMMQSCCMJ-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-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
1-bromo-2-chloro-3-propoxybenzene
CID 126752460

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone (CID 104657103) is (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
The InChIKey is UNMJVIMMQSCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9H,2,8H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone?
(3-bromo-2-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 (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone is sourced from PubChem (CID 104657103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).