ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene

C25H34O — CID 143505670

IUPACethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene
SMILESCC.CC.CCc1cc(OC)c(-c2cc3ccccc3cc2C)cc1C
InChIInChI=1S/C21H22O.2C2H6/c1-5-16-13-21(22-4)20(11-14(16)2)19-12-18-9-7-6-8-17(18)10-15(19)3;2*1-2/h6-13H,5H2,1-4H3;2*1-2H3
InChIKeyJERFMAHCHBBUNE-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.75
Rot. Bonds3

About ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene

ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene (PubChem CID 143505670) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene.

Molecular Properties

Compound Nameethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene
PubChem CID143505670
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Nameethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene
SMILESCC.CC.CCc1cc(OC)c(-c2cc3ccccc3cc2C)cc1C
InChIInChI=1S/C21H22O.2C2H6/c1-5-16-13-21(22-4)20(11-14(16)2)19-12-18-9-7-6-8-17(18)10-15(19)3;2*1-2/h6-13H,5H2,1-4H3;2*1-2H3
InChIKeyJERFMAHCHBBUNE-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
CID 143505558
2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
ethane;3-ethyl-2,6-dimethylnaphthalene
CID 143575841
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
2-butyl-3-methylnaphthalene
CID 173304138
6-ethyl-1,7-dimethylnaphthalene
CID 86142528
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277
2-(2-butan-2-ylphenyl)-3-methylnaphthalene
CID 144741250

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene?
The IUPAC name of ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene (CID 143505670) is ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene.
What is the SMILES notation for ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene?
The canonical SMILES for ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene is CC.CC.CCc1cc(OC)c(-c2cc3ccccc3cc2C)cc1C.
What is the InChIKey of ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene?
The InChIKey is JERFMAHCHBBUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O.2C2H6/c1-5-16-13-21(22-4)20(11-14(16)2)19-12-18-9-7-6-8-17(18)10-15(19)3;2*1-2/h6-13H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene?
ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene has a molecular weight of 350.55 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethyl-2-methoxy-5-methylphenyl)-3-methylnaphthalene is sourced from PubChem (CID 143505670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).