ethane;2-methoxy-1,3,5-trimethylbenzene

C12H20O — CID 142174927

IUPACethane;2-methoxy-1,3,5-trimethylbenzene
SMILESCC.COc1c(C)cc(C)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-7-5-8(2)10(11-4)9(3)6-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyOJTFEDCJYQZGSY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.65
Rot. Bonds1

About ethane;2-methoxy-1,3,5-trimethylbenzene

ethane;2-methoxy-1,3,5-trimethylbenzene (PubChem CID 142174927) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-methoxy-1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameethane;2-methoxy-1,3,5-trimethylbenzene
PubChem CID142174927
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;2-methoxy-1,3,5-trimethylbenzene
SMILESCC.COc1c(C)cc(C)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-7-5-8(2)10(11-4)9(3)6-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyOJTFEDCJYQZGSY-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
4-methoxy-3,5-dimethylphenol
CID 643378
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 143834388
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-1,3,5-trimethylbenzene?
The IUPAC name of ethane;2-methoxy-1,3,5-trimethylbenzene (CID 142174927) is ethane;2-methoxy-1,3,5-trimethylbenzene.
What is the SMILES notation for ethane;2-methoxy-1,3,5-trimethylbenzene?
The canonical SMILES for ethane;2-methoxy-1,3,5-trimethylbenzene is CC.COc1c(C)cc(C)cc1C.
What is the InChIKey of ethane;2-methoxy-1,3,5-trimethylbenzene?
The InChIKey is OJTFEDCJYQZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-7-5-8(2)10(11-4)9(3)6-7;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;2-methoxy-1,3,5-trimethylbenzene?
ethane;2-methoxy-1,3,5-trimethylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-1,3,5-trimethylbenzene is sourced from PubChem (CID 142174927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).