(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone

C16H14BrFO4 — CID 46929742

IUPAC(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Br)ccc2F)cc(OC)c1OC
InChIInChI=1S/C16H14BrFO4/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-8-10(17)4-5-12(11)18/h4-8H,1-3H3
InChIKeyLDUFJQXREBCHJV-UHFFFAOYSA-N
MW369.19 g/mol
LogP3.85
Rot. Bonds5

About (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone

(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 46929742) has the molecular formula C16H14BrFO4 and a molecular weight of 369.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID46929742
Molecular FormulaC16H14BrFO4
Molecular Weight369.19 g/mol
Exact Mass368.01
IUPAC Name(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Br)ccc2F)cc(OC)c1OC
InChIInChI=1S/C16H14BrFO4/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-8-10(17)4-5-12(11)18/h4-8H,1-3H3
InChIKeyLDUFJQXREBCHJV-UHFFFAOYSA-N
XLogP3.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 46929742) is (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(Br)ccc2F)cc(OC)c1OC.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LDUFJQXREBCHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO4/c1-20-13-6-9(7-14(21-2)16(13)22-3)15(19)11-8-10(17)4-5-12(11)18/h4-8H,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.19 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 46929742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).