1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone

C20H18O2 — CID 53343990

IUPAC1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1cc2ccccc2cc1COc1ccc(C)cc1
InChIInChI=1S/C20H18O2/c1-14-7-9-19(10-8-14)22-13-18-11-16-5-3-4-6-17(16)12-20(18)15(2)21/h3-12H,13H2,1-2H3
InChIKeyWIIAUJRXIYPWBT-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.93
Rot. Bonds4

About 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone

1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone (PubChem CID 53343990) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
PubChem CID53343990
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1cc2ccccc2cc1COc1ccc(C)cc1
InChIInChI=1S/C20H18O2/c1-14-7-9-19(10-8-14)22-13-18-11-16-5-3-4-6-17(16)12-20(18)15(2)21/h3-12H,13H2,1-2H3
InChIKeyWIIAUJRXIYPWBT-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566973
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864376
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)benzoic acid
CID 117221220

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone (CID 53343990) is 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone is CC(=O)c1cc2ccccc2cc1COc1ccc(C)cc1.
What is the InChIKey of 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone?
The InChIKey is WIIAUJRXIYPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-14-7-9-19(10-8-14)22-13-18-11-16-5-3-4-6-17(16)12-20(18)15(2)21/h3-12H,13H2,1-2H3.
What are the key properties of 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone?
1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone has a molecular weight of 290.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone is sourced from PubChem (CID 53343990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).