1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one

C18H18O2 — CID 3425337

IUPAC1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H18O2/c1-13-8-9-14(2)16(12-13)17(19)11-10-15-6-4-5-7-18(15)20-3/h4-12H,1-3H3
InChIKeyNQJKDOUYBJFBQY-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.21
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one

1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 3425337) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID3425337
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H18O2/c1-13-8-9-14(2)16(12-13)17(19)11-10-15-6-4-5-7-18(15)20-3/h4-12H,1-3H3
InChIKeyNQJKDOUYBJFBQY-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.21
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

(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one;(E)-1-(2-hydroxy-5-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 130277777
(E)-1-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 39381963
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
[2-[3-(2-methoxyphenyl)prop-2-enoyl]-4-methylphenyl] 4-nitrobenzoate
CID 4010120
2-[2-[(E)-3-(2-methoxy-4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 24561849
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
CID 71385450
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
(E)-1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7947875
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 6447965

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (CID 3425337) is 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1C=CC(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is NQJKDOUYBJFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-8-9-14(2)16(12-13)17(19)11-10-15-6-4-5-7-18(15)20-3/h4-12H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 3425337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).