1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one

C13H16O2 — CID 82282797

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H16O2/c1-5-12(14)11-8-10(9(2)3)6-7-13(11)15-4/h5-9H,1H2,2-4H3
InChIKeyZMWDOHHIFJDUQU-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one

1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 82282797) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID82282797
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H16O2/c1-5-12(14)11-8-10(9(2)3)6-7-13(11)15-4/h5-9H,1H2,2-4H3
InChIKeyZMWDOHHIFJDUQU-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
1-[5-[(1R)-1-hydroxyethyl]-2-methoxyphenyl]-3-methylbut-2-en-1-one
CID 162985346
1-(2-methoxy-5-propan-2-ylphenyl)pentane-1,4-dione
CID 94689449
(E)-3-cyclopropyl-3-(2-methoxy-5-propan-2-ylphenyl)prop-2-enoic acid
CID 82049690
2-(hydroxymethyl)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-one
CID 116923029
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
3-amino-4-(2-methoxy-5-propan-2-ylphenyl)-4-oxobutanoic acid
CID 82349179
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
(E)-1-(2,5-dimethoxyphenyl)-3-(4-propan-2-ylanilino)prop-2-en-1-one
CID 46858431
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one (CID 82282797) is 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one is C=CC(=O)c1cc(C(C)C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is ZMWDOHHIFJDUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-5-12(14)11-8-10(9(2)3)6-7-13(11)15-4/h5-9H,1H2,2-4H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one?
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 82282797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).