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

C14H10BrFO2 — CID 114962473

IUPAC(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(16)5-6-13(12)15/h2-8H,1H3
InChIKeyPCTCKXFBJLDOPU-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.83
Rot. Bonds3

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

(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone (PubChem CID 114962473) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
PubChem CID114962473
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(16)5-6-13(12)15/h2-8H,1H3
InChIKeyPCTCKXFBJLDOPU-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 115791328
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
CID 43344972
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone (CID 114962473) is (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone?
The InChIKey is PCTCKXFBJLDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)12-8-10(16)5-6-13(12)15/h2-8H,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone?
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone has a molecular weight of 309.13 g/mol, XLogP of 3.83, 3 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-methoxyphenyl)methanone is sourced from PubChem (CID 114962473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).