1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one

C18H20O3 — CID 83950881

IUPAC1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H20O3/c1-4-16(19)15-9-10-17(18(11-15)20-3)21-12-14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3
InChIKeyLEWUACDTMJMUJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.18
Rot. Bonds6

About 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one

1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one (PubChem CID 83950881) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
PubChem CID83950881
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H20O3/c1-4-16(19)15-9-10-17(18(11-15)20-3)21-12-14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3
InChIKeyLEWUACDTMJMUJR-UHFFFAOYSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
CID 82051586
1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
CID 23019202
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-[4-[[4-methyl-2-(2-methylpropyl)phenoxy]methyl]phenyl]propan-1-one
CID 159594220
4-methoxy-3-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 22681441
(2S)-2-azaniumyl-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]acetate
CID 7139532
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
CID 174893662

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one (CID 83950881) is 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one?
The InChIKey is LEWUACDTMJMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-16(19)15-9-10-17(18(11-15)20-3)21-12-14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one?
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 83950881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).