[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone

C15H10BrF3O2 — CID 114962483

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H10BrF3O2/c1-21-11-4-2-3-9(7-11)14(20)10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyHBUXCEFFCFUIHA-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.71
Rot. Bonds3

About [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone

[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone (PubChem CID 114962483) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
PubChem CID114962483
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H10BrF3O2/c1-21-11-4-2-3-9(7-11)14(20)10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyHBUXCEFFCFUIHA-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone (CID 114962483) is [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone?
The InChIKey is HBUXCEFFCFUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c1-21-11-4-2-3-9(7-11)14(20)10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone?
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone has a molecular weight of 359.14 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 114962483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).