6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one

C22H24O3 — CID 20531464

IUPAC6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one
SMILESCCC1(C)CC(=O)c2c(cc(C(C)=O)cc2OCc2ccccc2)C1
InChIInChI=1S/C22H24O3/c1-4-22(3)12-18-10-17(15(2)23)11-20(21(18)19(24)13-22)25-14-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3
InChIKeyDAWQQLRGOVIRDD-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.01
Rot. Bonds5

About 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one

6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one (PubChem CID 20531464) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one
PubChem CID20531464
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one
SMILESCCC1(C)CC(=O)c2c(cc(C(C)=O)cc2OCc2ccccc2)C1
InChIInChI=1S/C22H24O3/c1-4-22(3)12-18-10-17(15(2)23)11-20(21(18)19(24)13-22)25-14-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3
InChIKeyDAWQQLRGOVIRDD-UHFFFAOYSA-N
XLogP5.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-8-phenylmethoxy-6-(5-phenylpentoxy)-2,4-dihydronaphthalen-1-one
CID 19848836
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3H-chromen-4-one
CID 13364567
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one?
The IUPAC name of 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one (CID 20531464) is 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one.
What is the SMILES notation for 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one?
The canonical SMILES for 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one is CCC1(C)CC(=O)c2c(cc(C(C)=O)cc2OCc2ccccc2)C1.
What is the InChIKey of 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one?
The InChIKey is DAWQQLRGOVIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-4-22(3)12-18-10-17(15(2)23)11-20(21(18)19(24)13-22)25-14-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3.
What are the key properties of 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one?
6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one has a molecular weight of 336.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-ethyl-3-methyl-8-phenylmethoxy-2,4-dihydronaphthalen-1-one is sourced from PubChem (CID 20531464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).