(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H15FO3 — CID 104659113

IUPAC(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c1-19-9-10-20-15-8-3-2-7-14(15)16(18)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyVLMJRQHMKDMMFF-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.08
Rot. Bonds6

About (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 104659113) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID104659113
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c1-19-9-10-20-15-8-3-2-7-14(15)16(18)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyVLMJRQHMKDMMFF-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
[2-[2-(3-fluorobenzoyl)phenoxy]phenyl]-(3-hydroxyphenyl)methanone
CID 139890668
N'-(4-fluorobenzoyl)-2-(2-methoxyethoxy)benzohydrazide
CID 86827465
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
CID 146189061
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 104659113) is (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is VLMJRQHMKDMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-9-10-20-15-8-3-2-7-14(15)16(18)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 274.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 104659113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).