(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone

C16H14Cl2O2 — CID 114971046

IUPAC(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-10-20-12-8-6-11(7-9-12)16(19)15-13(17)4-3-5-14(15)18/h3-9H,2,10H2,1H3
InChIKeyFXJRXLUFRRCWEP-UHFFFAOYSA-N
MW309.19 g/mol
LogP5.01
Rot. Bonds5

About (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone

(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone (PubChem CID 114971046) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
PubChem CID114971046
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-10-20-12-8-6-11(7-9-12)16(19)15-13(17)4-3-5-14(15)18/h3-9H,2,10H2,1H3
InChIKeyFXJRXLUFRRCWEP-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
(2,6-dimethylphenyl)-(4-dodecoxyphenyl)methanone
CID 90192160
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
CID 114971031
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone (CID 114971046) is (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is FXJRXLUFRRCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-2-10-20-12-8-6-11(7-9-12)16(19)15-13(17)4-3-5-14(15)18/h3-9H,2,10H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone?
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 309.19 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 114971046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).