(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone

C15H12BrFO2 — CID 115791328

IUPAC(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C15H12BrFO2/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9H,2H2,1H3
InChIKeyFRVWGCMZGALICI-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.22
Rot. Bonds4

About (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone

(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone (PubChem CID 115791328) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
PubChem CID115791328
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C15H12BrFO2/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9H,2H2,1H3
InChIKeyFRVWGCMZGALICI-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 75937701
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
bromobenzene;3-ethoxybenzoic acid
CID 174626248
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone (CID 115791328) is (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone?
The InChIKey is FRVWGCMZGALICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-2-19-12-5-3-4-10(8-12)15(18)13-9-11(17)6-7-14(13)16/h3-9H,2H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone?
(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone has a molecular weight of 323.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 115791328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).