1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one

C18H20O3 — CID 134129695

IUPAC1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-18(19)15-7-11-17(12-8-15)21-13-14-5-9-16(20-2)10-6-14/h5-12H,3-4,13H2,1-2H3
InChIKeyVKGHQWPSMFKAIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.26
Rot. Bonds7

About 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one

1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one (PubChem CID 134129695) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
PubChem CID134129695
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-18(19)15-7-11-17(12-8-15)21-13-14-5-9-16(20-2)10-6-14/h5-12H,3-4,13H2,1-2H3
InChIKeyVKGHQWPSMFKAIK-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one
CID 71507391
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one (CID 134129695) is 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one is CCCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one?
The InChIKey is VKGHQWPSMFKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-18(19)15-7-11-17(12-8-15)21-13-14-5-9-16(20-2)10-6-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one?
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one is sourced from PubChem (CID 134129695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).