(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone

C14H10BrFO2 — CID 24722787

IUPAC(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8H,1H3
InChIKeyDJHOQJWPFZDYMU-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.83
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone

(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone (PubChem CID 24722787) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
PubChem CID24722787
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8H,1H3
InChIKeyDJHOQJWPFZDYMU-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

[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
(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
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone (CID 24722787) is (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone?
The InChIKey is DJHOQJWPFZDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c1-18-11-4-2-3-9(7-11)14(17)10-5-6-12(15)13(16)8-10/h2-8H,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone?
(4-bromo-3-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 (4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 24722787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).