(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone

C17H16BrFO2 — CID 104657035

IUPAC(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C17H16BrFO2/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMYODPZZGLVPBSQ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.92
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone

(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 104657035) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID104657035
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C17H16BrFO2/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMYODPZZGLVPBSQ-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
1-(3-bromo-4-propoxyphenyl)-2-(2-fluorophenyl)ethanone
CID 104657056
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone (CID 104657035) is (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is MYODPZZGLVPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 351.22 g/mol, XLogP of 4.92, 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-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 104657035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).