1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone

C18H20O2 — CID 71380079

IUPAC1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
SMILESCCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O2/c1-3-4-14-5-7-15(8-6-14)13-18(19)16-9-11-17(20-2)12-10-16/h5-12H,3-4,13H2,1-2H3
InChIKeyDXHWTHIVZDKCMX-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone

1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone (PubChem CID 71380079) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
PubChem CID71380079
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
SMILESCCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O2/c1-3-4-14-5-7-15(8-6-14)13-18(19)16-9-11-17(20-2)12-10-16/h5-12H,3-4,13H2,1-2H3
InChIKeyDXHWTHIVZDKCMX-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
[4-[2-oxo-2-(4-propylphenyl)ethyl]phenyl] methanesulfonate
CID 23159376
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone (CID 71380079) is 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone is CCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone?
The InChIKey is DXHWTHIVZDKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-4-14-5-7-15(8-6-14)13-18(19)16-9-11-17(20-2)12-10-16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone?
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone is sourced from PubChem (CID 71380079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).