1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one

C16H24O3 — CID 82053745

IUPAC1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H24O3/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(17)7-8-18-5/h9-10H,7-8H2,1-6H3
InChIKeyBILHVBDILWVRNM-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.52
Rot. Bonds5

About 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one (PubChem CID 82053745) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
PubChem CID82053745
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H24O3/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(17)7-8-18-5/h9-10H,7-8H2,1-6H3
InChIKeyBILHVBDILWVRNM-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
CID 94978957
5-tert-butyl-N-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one (CID 82053745) is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one is COCCC(=O)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one?
The InChIKey is BILHVBDILWVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(17)7-8-18-5/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one?
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 82053745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).