1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone

C18H20O2 — CID 143603704

IUPAC1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(CC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-3-12-20-17-10-6-15(7-11-17)13-18(19)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3
InChIKeyWSHYHKSAXCKQBZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone

1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone (PubChem CID 143603704) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
PubChem CID143603704
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(CC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-3-12-20-17-10-6-15(7-11-17)13-18(19)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3
InChIKeyWSHYHKSAXCKQBZ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone (CID 143603704) is 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone is CCCOc1ccc(CC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone?
The InChIKey is WSHYHKSAXCKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-12-20-17-10-6-15(7-11-17)13-18(19)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone?
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 143603704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).