(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone

C16H14ClFO2 — CID 115800741

IUPAC(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9H,2,10H2,1H3
InChIKeyKUCVZDZYGJXVND-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.50
Rot. Bonds5

About (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone

(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone (PubChem CID 115800741) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
PubChem CID115800741
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9H,2,10H2,1H3
InChIKeyKUCVZDZYGJXVND-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
propyl 2-chloro-6-fluorobenzoate
CID 43389524
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
2,6-dipropoxybenzoyl iodide
CID 19912030
2-propoxy-N-propylbenzamide
CID 58831728
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone (CID 115800741) is (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone?
The InChIKey is KUCVZDZYGJXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9H,2,10H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone?
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone has a molecular weight of 292.74 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 115800741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).