(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone

C16H14BrClO2 — CID 107944446

IUPAC(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3
InChIKeyWOSIJPBMLWBXGQ-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.12
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone

(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 107944446) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID107944446
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3
InChIKeyWOSIJPBMLWBXGQ-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone (CID 107944446) is (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is WOSIJPBMLWBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-10(2)20-15-5-3-11(4-6-15)16(19)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone?
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 353.64 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 107944446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).