ethane;1-methoxy-3-methyl-2-phenoxybenzene

C16H20O2 — CID 155714526

IUPACethane;1-methoxy-3-methyl-2-phenoxybenzene
SMILESCC.COc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C14H14O2.C2H6/c1-11-7-6-10-13(15-2)14(11)16-12-8-4-3-5-9-12;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUNOMKAAXPYBTMQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.82
Rot. Bonds3

About ethane;1-methoxy-3-methyl-2-phenoxybenzene

ethane;1-methoxy-3-methyl-2-phenoxybenzene (PubChem CID 155714526) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethane;1-methoxy-3-methyl-2-phenoxybenzene.

Molecular Properties

Compound Nameethane;1-methoxy-3-methyl-2-phenoxybenzene
PubChem CID155714526
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Nameethane;1-methoxy-3-methyl-2-phenoxybenzene
SMILESCC.COc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C14H14O2.C2H6/c1-11-7-6-10-13(15-2)14(11)16-12-8-4-3-5-9-12;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUNOMKAAXPYBTMQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-2-phenoxybenzene
CID 90950955
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
(2,6-dimethoxyphenyl) 4-phenoxybenzoate
CID 7934769
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
1-(3-methyl-2-phenoxyphenyl)pyrrolidine
CID 168514130

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methyl-2-phenoxybenzene?
The IUPAC name of ethane;1-methoxy-3-methyl-2-phenoxybenzene (CID 155714526) is ethane;1-methoxy-3-methyl-2-phenoxybenzene.
What is the SMILES notation for ethane;1-methoxy-3-methyl-2-phenoxybenzene?
The canonical SMILES for ethane;1-methoxy-3-methyl-2-phenoxybenzene is CC.COc1cccc(C)c1Oc1ccccc1.
What is the InChIKey of ethane;1-methoxy-3-methyl-2-phenoxybenzene?
The InChIKey is UNOMKAAXPYBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C2H6/c1-11-7-6-10-13(15-2)14(11)16-12-8-4-3-5-9-12;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-3-methyl-2-phenoxybenzene?
ethane;1-methoxy-3-methyl-2-phenoxybenzene has a molecular weight of 244.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methyl-2-phenoxybenzene is sourced from PubChem (CID 155714526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).