(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone

C18H18Cl2O3 — CID 68971573

IUPAC(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2O3/c1-10(2)11-8-12(16(23-4)9-15(11)22-3)18(21)17-13(19)6-5-7-14(17)20/h5-10H,1-4H3
InChIKeyZIQWUHHFEWIZML-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.36
Rot. Bonds5

About (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone

(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone (PubChem CID 68971573) has the molecular formula C18H18Cl2O3 and a molecular weight of 353.25 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
PubChem CID68971573
Molecular FormulaC18H18Cl2O3
Molecular Weight353.25 g/mol
Exact Mass352.06
IUPAC Name(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2O3/c1-10(2)11-8-12(16(23-4)9-15(11)22-3)18(21)17-13(19)6-5-7-14(17)20/h5-10H,1-4H3
InChIKeyZIQWUHHFEWIZML-UHFFFAOYSA-N
XLogP5.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
[2-(3-bromo-2,5,6-trimethoxybenzoyl)phenyl]-(2,6-dichlorophenyl)methanone
CID 141016409
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide
CID 141016460
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone (CID 68971573) is (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone is COc1cc(OC)c(C(C)C)cc1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone?
The InChIKey is ZIQWUHHFEWIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O3/c1-10(2)11-8-12(16(23-4)9-15(11)22-3)18(21)17-13(19)6-5-7-14(17)20/h5-10H,1-4H3.
What are the key properties of (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone?
(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone has a molecular weight of 353.25 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 68971573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).