1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one

C18H20O3 — CID 138971631

IUPAC1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one
SMILESCOc1ccc(COCC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-20-18-11-8-16(9-12-18)13-21-14-17(19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3
InChIKeyUFWJVTJOAFWJFI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds8

About 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one

1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one (PubChem CID 138971631) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one
PubChem CID138971631
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one
SMILESCOc1ccc(COCC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-20-18-11-8-16(9-12-18)13-21-14-17(19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3
InChIKeyUFWJVTJOAFWJFI-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one (CID 138971631) is 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one is COc1ccc(COCC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one?
The InChIKey is UFWJVTJOAFWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-18-11-8-16(9-12-18)13-21-14-17(19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one?
1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-one is sourced from PubChem (CID 138971631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).