1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one

C14H20O2 — CID 117114961

IUPAC1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
SMILESCOCC(C)(C)c1cccc(CC(C)=O)c1
InChIInChI=1S/C14H20O2/c1-11(15)8-12-6-5-7-13(9-12)14(2,3)10-16-4/h5-7,9H,8,10H2,1-4H3
InChIKeyHTJIDXYNQSRRME-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one

1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one (PubChem CID 117114961) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
PubChem CID117114961
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
SMILESCOCC(C)(C)c1cccc(CC(C)=O)c1
InChIInChI=1S/C14H20O2/c1-11(15)8-12-6-5-7-13(9-12)14(2,3)10-16-4/h5-7,9H,8,10H2,1-4H3
InChIKeyHTJIDXYNQSRRME-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
dimethyl 2-[3-(2-methoxy-2-oxoethyl)phenyl]-2-methylpropanedioate
CID 67076719
methoxymethyl 3-(2-oxopropyl)benzoate
CID 89146440
1-(3-chlorophenyl)propan-2-one
CID 2734097

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one (CID 117114961) is 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one is COCC(C)(C)c1cccc(CC(C)=O)c1.
What is the InChIKey of 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The InChIKey is HTJIDXYNQSRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)8-12-6-5-7-13(9-12)14(2,3)10-16-4/h5-7,9H,8,10H2,1-4H3.
What are the key properties of 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one?
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 117114961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).