methane;5-methyl-1,3-benzodioxole;1,4-xylene

C17H22O2 — CID 160857167

IUPACmethane;5-methyl-1,3-benzodioxole;1,4-xylene
SMILESC.Cc1ccc(C)cc1.Cc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O2.C8H10.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;/h2-4H,5H2,1H3;3-6H,1-2H3;1H4
InChIKeySJZWDBYXWSFFMJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.66
Rot. Bonds

About methane;5-methyl-1,3-benzodioxole;1,4-xylene

methane;5-methyl-1,3-benzodioxole;1,4-xylene (PubChem CID 160857167) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is methane;5-methyl-1,3-benzodioxole;1,4-xylene.

Molecular Properties

Compound Namemethane;5-methyl-1,3-benzodioxole;1,4-xylene
PubChem CID160857167
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Namemethane;5-methyl-1,3-benzodioxole;1,4-xylene
SMILESC.Cc1ccc(C)cc1.Cc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O2.C8H10.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;/h2-4H,5H2,1H3;3-6H,1-2H3;1H4
InChIKeySJZWDBYXWSFFMJ-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1,3-benzodioxole
CID 142082223
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
5-(4-methylphenyl)sulfanyl-1,3-benzodioxole
CID 18712803
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
3-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-2H-furan-5-one
CID 142656691
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylaniline
CID 43196497
1,3-benzodioxol-5-ol;methane
CID 68940822
6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
CID 144869652
1-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 62539511

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1,3-benzodioxole;1,4-xylene?
The IUPAC name of methane;5-methyl-1,3-benzodioxole;1,4-xylene (CID 160857167) is methane;5-methyl-1,3-benzodioxole;1,4-xylene.
What is the SMILES notation for methane;5-methyl-1,3-benzodioxole;1,4-xylene?
The canonical SMILES for methane;5-methyl-1,3-benzodioxole;1,4-xylene is C.Cc1ccc(C)cc1.Cc1ccc2c(c1)OCO2.
What is the InChIKey of methane;5-methyl-1,3-benzodioxole;1,4-xylene?
The InChIKey is SJZWDBYXWSFFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C8H10.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;/h2-4H,5H2,1H3;3-6H,1-2H3;1H4.
What are the key properties of methane;5-methyl-1,3-benzodioxole;1,4-xylene?
methane;5-methyl-1,3-benzodioxole;1,4-xylene has a molecular weight of 258.36 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1,3-benzodioxole;1,4-xylene is sourced from PubChem (CID 160857167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).