1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone

C14H20O3 — CID 67914983

IUPAC1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C(C)=O
InChIInChI=1S/C14H20O3/c1-9(15)13-11(16-5)7-10(14(2,3)4)8-12(13)17-6/h7-8H,1-6H3
InChIKeyRPXXPEGAPBBEBS-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone

1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone (PubChem CID 67914983) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
PubChem CID67914983
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C(C)=O
InChIInChI=1S/C14H20O3/c1-9(15)13-11(16-5)7-10(14(2,3)4)8-12(13)17-6/h7-8H,1-6H3
InChIKeyRPXXPEGAPBBEBS-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

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Related Compounds

1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-[4-(8-bromo-2-methyloctan-2-yl)-2,6-dimethoxyphenyl]ethanone
CID 23246210
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
CID 86087560
1-[4-(8-bromo-2-methyloctan-2-yl)-2-methoxy-6-prop-2-enoxyphenyl]ethanone
CID 23246211
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone (CID 67914983) is 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone is COc1cc(C(C)(C)C)cc(OC)c1C(C)=O.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone?
The InChIKey is RPXXPEGAPBBEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(15)13-11(16-5)7-10(14(2,3)4)8-12(13)17-6/h7-8H,1-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone?
1-(4-tert-butyl-2,6-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-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 67914983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).