ethane;1-methyl-2-(2-methylphenoxy)benzene

C18H26O — CID 90755051

IUPACethane;1-methyl-2-(2-methylphenoxy)benzene
SMILESCC.CC.Cc1ccccc1Oc1ccccc1C
InChIInChI=1S/C14H14O.2C2H6/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyPVGJNUXWDIUNAX-UHFFFAOYSA-N
MW258.40 g/mol
LogP6.15
Rot. Bonds2

About ethane;1-methyl-2-(2-methylphenoxy)benzene

ethane;1-methyl-2-(2-methylphenoxy)benzene (PubChem CID 90755051) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is ethane;1-methyl-2-(2-methylphenoxy)benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-(2-methylphenoxy)benzene
PubChem CID90755051
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Nameethane;1-methyl-2-(2-methylphenoxy)benzene
SMILESCC.CC.Cc1ccccc1Oc1ccccc1C
InChIInChI=1S/C14H14O.2C2H6/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyPVGJNUXWDIUNAX-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
ethane;1-methyl-2-phenoxybenzene
CID 90950955
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
[2-(2-methylphenoxy)phenyl]diazene
CID 71163994
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
1-methyl-2-(2-methylphenoxy)benzene;oxirane-2-carbaldehyde
CID 87093711
9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
CID 153323288

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(2-methylphenoxy)benzene?
The IUPAC name of ethane;1-methyl-2-(2-methylphenoxy)benzene (CID 90755051) is ethane;1-methyl-2-(2-methylphenoxy)benzene.
What is the SMILES notation for ethane;1-methyl-2-(2-methylphenoxy)benzene?
The canonical SMILES for ethane;1-methyl-2-(2-methylphenoxy)benzene is CC.CC.Cc1ccccc1Oc1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-(2-methylphenoxy)benzene?
The InChIKey is PVGJNUXWDIUNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.2C2H6/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-2-(2-methylphenoxy)benzene?
ethane;1-methyl-2-(2-methylphenoxy)benzene has a molecular weight of 258.40 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(2-methylphenoxy)benzene is sourced from PubChem (CID 90755051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).