(2,4-dibromophenyl)-(4-propoxyphenyl)methanone

C16H14Br2O2 — CID 107944442

IUPAC(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H14Br2O2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyMACVIEBAXUGQOV-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.23
Rot. Bonds5

About (2,4-dibromophenyl)-(4-propoxyphenyl)methanone

(2,4-dibromophenyl)-(4-propoxyphenyl)methanone (PubChem CID 107944442) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
PubChem CID107944442
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H14Br2O2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyMACVIEBAXUGQOV-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
(2,4-dibromophenyl) 4-butoxybenzoate
CID 23011527
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-propoxyphenyl)methanone (CID 107944442) is (2,4-dibromophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of (2,4-dibromophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is MACVIEBAXUGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(4-propoxyphenyl)methanone?
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 398.09 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 107944442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).