(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone

C16H13BrClFO2 — CID 107998416

IUPAC(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C16H13BrClFO2/c1-2-7-21-15-6-4-10(8-12(15)17)16(20)11-3-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyDILAEXIOUGUROQ-UHFFFAOYSA-N
MW371.63 g/mol
LogP5.26
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone

(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone (PubChem CID 107998416) has the molecular formula C16H13BrClFO2 and a molecular weight of 371.63 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
PubChem CID107998416
Molecular FormulaC16H13BrClFO2
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C16H13BrClFO2/c1-2-7-21-15-6-4-10(8-12(15)17)16(20)11-3-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyDILAEXIOUGUROQ-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.63
LogP ≤ 55.26
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-fluoro-3-methylphenyl)methanone
CID 104657035
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
1-(3-bromo-4-propoxyphenyl)-2-(2-fluorophenyl)ethanone
CID 104657056
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone (CID 107998416) is (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone is CCCOc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The InChIKey is DILAEXIOUGUROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFO2/c1-2-7-21-15-6-4-10(8-12(15)17)16(20)11-3-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone has a molecular weight of 371.63 g/mol, XLogP of 5.26, 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)-(4-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 107998416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).