1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane

C27H40O3 — CID 158794651

IUPAC1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
SMILESC.C.CCc1ccc(OC)cc1.CCc1ccc2cc(C(C)=O)ccc2c1.COC
InChIInChI=1S/C14H14O.C9H12O.C2H6O.2CH4/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11;1-3-8-4-6-9(10-2)7-5-8;1-3-2;;/h4-9H,3H2,1-2H3;4-7H,3H2,1-2H3;1-2H3;2*1H4
InChIKeyISSHADRKHQWKJU-UHFFFAOYSA-N
MW412.61 g/mol
LogP7.40
Rot. Bonds4

About 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane

1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane (PubChem CID 158794651) has the molecular formula C27H40O3 and a molecular weight of 412.61 g/mol. Its IUPAC name is 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane.

Molecular Properties

Compound Name1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
PubChem CID158794651
Molecular FormulaC27H40O3
Molecular Weight412.61 g/mol
Exact Mass412.30
IUPAC Name1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
SMILESC.C.CCc1ccc(OC)cc1.CCc1ccc2cc(C(C)=O)ccc2c1.COC
InChIInChI=1S/C14H14O.C9H12O.C2H6O.2CH4/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11;1-3-8-4-6-9(10-2)7-5-8;1-3-2;;/h4-9H,3H2,1-2H3;4-7H,3H2,1-2H3;1-2H3;2*1H4
InChIKeyISSHADRKHQWKJU-UHFFFAOYSA-N
XLogP7.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)
CID 157460440
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158679690
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
CID 107665209
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane?
The IUPAC name of 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane (CID 158794651) is 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane.
What is the SMILES notation for 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane?
The canonical SMILES for 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane is C.C.CCc1ccc(OC)cc1.CCc1ccc2cc(C(C)=O)ccc2c1.COC.
What is the InChIKey of 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane?
The InChIKey is ISSHADRKHQWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C9H12O.C2H6O.2CH4/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11;1-3-8-4-6-9(10-2)7-5-8;1-3-2;;/h4-9H,3H2,1-2H3;4-7H,3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane?
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane has a molecular weight of 412.61 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane is sourced from PubChem (CID 158794651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).