1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone

C14H20O3 — CID 23035413

IUPAC1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)(C)C)cc1C(C)=O
InChIInChI=1S/C14H20O3/c1-9(15)10-7-11(14(2,3)4)13(17-6)8-12(10)16-5/h7-8H,1-6H3
InChIKeyNNXBXUQQLLKNRG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.20
Rot. Bonds3

About 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone

1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone (PubChem CID 23035413) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
PubChem CID23035413
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)(C)C)cc1C(C)=O
InChIInChI=1S/C14H20O3/c1-9(15)10-7-11(14(2,3)4)13(17-6)8-12(10)16-5/h7-8H,1-6H3
InChIKeyNNXBXUQQLLKNRG-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-hydroxy-4-methoxybenzoic acid
CID 151019473
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
CID 155787502
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-(3-tert-butyl-5-chloro-2-methoxyphenyl)ethanone
CID 117354240

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone (CID 23035413) is 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone is COc1cc(OC)c(C(C)(C)C)cc1C(C)=O.
What is the InChIKey of 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone?
The InChIKey is NNXBXUQQLLKNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(15)10-7-11(14(2,3)4)13(17-6)8-12(10)16-5/h7-8H,1-6H3.
What are the key properties of 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone?
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 23035413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).