(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone

C16H13BrF2O2 — CID 104656996

IUPAC(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C16H13BrF2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3
InChIKeyWPISZGYPTCGPNK-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.75
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone

(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 104656996) has the molecular formula C16H13BrF2O2 and a molecular weight of 355.18 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
PubChem CID104656996
Molecular FormulaC16H13BrF2O2
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Name(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C16H13BrF2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3
InChIKeyWPISZGYPTCGPNK-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.75
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)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
1-(3-bromo-4-propoxyphenyl)-2-(2-fluorophenyl)ethanone
CID 104657056
(4-benzoylphenyl) 3-bromo-4-propoxybenzoate
CID 43910954
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone (CID 104656996) is (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone is CCCOc1ccc(C(=O)c2cc(F)cc(F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is WPISZGYPTCGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O2/c1-2-5-21-15-4-3-10(8-14(15)17)16(20)11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone?
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 355.18 g/mol, XLogP of 4.75, 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)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 104656996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).