ethane;1-ethyl-4-methoxy-2-methylbenzene

C12H20O — CID 142129466

IUPACethane;1-ethyl-4-methoxy-2-methylbenzene
SMILESCC.CCc1ccc(OC)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-4-9-5-6-10(11-3)7-8(9)2;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyFILZXWMOWBJBHY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.59
Rot. Bonds2

About ethane;1-ethyl-4-methoxy-2-methylbenzene

ethane;1-ethyl-4-methoxy-2-methylbenzene (PubChem CID 142129466) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-ethyl-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-methoxy-2-methylbenzene
PubChem CID142129466
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;1-ethyl-4-methoxy-2-methylbenzene
SMILESCC.CCc1ccc(OC)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-4-9-5-6-10(11-3)7-8(9)2;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyFILZXWMOWBJBHY-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
bis(4-ethyl-3-methylphenyl) carbonate
CID 89437335
dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
CID 88833819
1-(isocyanomethyl)-4-methoxy-2-methylbenzene
CID 83480247
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methoxy-2-methylbenzene?
The IUPAC name of ethane;1-ethyl-4-methoxy-2-methylbenzene (CID 142129466) is ethane;1-ethyl-4-methoxy-2-methylbenzene.
What is the SMILES notation for ethane;1-ethyl-4-methoxy-2-methylbenzene?
The canonical SMILES for ethane;1-ethyl-4-methoxy-2-methylbenzene is CC.CCc1ccc(OC)cc1C.
What is the InChIKey of ethane;1-ethyl-4-methoxy-2-methylbenzene?
The InChIKey is FILZXWMOWBJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-4-9-5-6-10(11-3)7-8(9)2;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methoxy-2-methylbenzene?
ethane;1-ethyl-4-methoxy-2-methylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methoxy-2-methylbenzene is sourced from PubChem (CID 142129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).