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

C16H30O — CID 178178141

IUPACbutane;ethane;2-ethyl-4-methoxy-1-methylbenzene
SMILESCC.CCCC.CCc1cc(OC)ccc1C
InChIInChI=1S/C10H14O.C4H10.C2H6/c1-4-9-7-10(11-3)6-5-8(9)2;1-3-4-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyAHVDBBURKXSIDS-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.40
Rot. Bonds3

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

butane;ethane;2-ethyl-4-methoxy-1-methylbenzene (PubChem CID 178178141) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is butane;ethane;2-ethyl-4-methoxy-1-methylbenzene.

Molecular Properties

Compound Namebutane;ethane;2-ethyl-4-methoxy-1-methylbenzene
PubChem CID178178141
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Namebutane;ethane;2-ethyl-4-methoxy-1-methylbenzene
SMILESCC.CCCC.CCc1cc(OC)ccc1C
InChIInChI=1S/C10H14O.C4H10.C2H6/c1-4-9-7-10(11-3)6-5-8(9)2;1-3-4-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyAHVDBBURKXSIDS-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
triethoxy-[(5-methoxy-2-methylphenyl)methyl]silane
CID 59566772
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-ethyl-4-methoxy-1-methylbenzene?
The IUPAC name of butane;ethane;2-ethyl-4-methoxy-1-methylbenzene (CID 178178141) is butane;ethane;2-ethyl-4-methoxy-1-methylbenzene.
What is the SMILES notation for butane;ethane;2-ethyl-4-methoxy-1-methylbenzene?
The canonical SMILES for butane;ethane;2-ethyl-4-methoxy-1-methylbenzene is CC.CCCC.CCc1cc(OC)ccc1C.
What is the InChIKey of butane;ethane;2-ethyl-4-methoxy-1-methylbenzene?
The InChIKey is AHVDBBURKXSIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C4H10.C2H6/c1-4-9-7-10(11-3)6-5-8(9)2;1-3-4-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;2-ethyl-4-methoxy-1-methylbenzene?
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene has a molecular weight of 238.41 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-ethyl-4-methoxy-1-methylbenzene is sourced from PubChem (CID 178178141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).