1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone

C17H18O3 — CID 60661065

IUPAC1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C)cc1COc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H18O3/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10H,11H2,1-3H3
InChIKeyOJNUQAGCLGSSLY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone

1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 60661065) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
PubChem CID60661065
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C)cc1COc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H18O3/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10H,11H2,1-3H3
InChIKeyOJNUQAGCLGSSLY-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methylphenoxy)propanoate
CID 42903545
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone (CID 60661065) is 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone is COc1ccc(C)cc1COc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is OJNUQAGCLGSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10H,11H2,1-3H3.
What are the key properties of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone?
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 60661065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).