1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone

C20H18O3 — CID 7919546

IUPAC1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-14(21)16-8-10-20(22-2)18(11-16)13-23-19-9-7-15-5-3-4-6-17(15)12-19/h3-12H,13H2,1-2H3
InChIKeyPRTVFIZOOHULHN-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone

1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone (PubChem CID 7919546) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
PubChem CID7919546
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-14(21)16-8-10-20(22-2)18(11-16)13-23-19-9-7-15-5-3-4-6-17(15)12-19/h3-12H,13H2,1-2H3
InChIKeyPRTVFIZOOHULHN-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.63
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
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795703
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561150
(E)-3-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561191
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6087705
(E)-1-(1-ethylpyrazol-4-yl)-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-en-1-one
CID 19543398
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone (CID 7919546) is 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ccc2ccccc2c1.
What is the InChIKey of 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone?
The InChIKey is PRTVFIZOOHULHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-14(21)16-8-10-20(22-2)18(11-16)13-23-19-9-7-15-5-3-4-6-17(15)12-19/h3-12H,13H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone?
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone has a molecular weight of 306.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone is sourced from PubChem (CID 7919546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).