1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one

C16H24O2 — CID 117374493

IUPAC1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CC(C)=O
InChIInChI=1S/C16H24O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-11H,9H2,1-6H3
InChIKeyQTAVDQYSVIRGMY-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one

1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one (PubChem CID 117374493) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
PubChem CID117374493
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CC(C)=O
InChIInChI=1S/C16H24O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-11H,9H2,1-6H3
InChIKeyQTAVDQYSVIRGMY-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
CID 146613098
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
O-[(2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117299206
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
CID 126564379
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
CID 170123205
2-amino-3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 117381633
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
CID 117379900

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one (CID 117374493) is 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one is COc1c(C(C)C)ccc(C(C)C)c1CC(C)=O.
What is the InChIKey of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one?
The InChIKey is QTAVDQYSVIRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one?
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 117374493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).