ethane;1-methoxy-2,4,5-trimethylbenzene

C12H20O — CID 143418687

IUPACethane;1-methoxy-2,4,5-trimethylbenzene
SMILESCC.COc1cc(C)c(C)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-7-5-9(3)10(11-4)6-8(7)2;1-2/h5-6H,1-4H3;1-2H3
InChIKeyMSFZVYXJIGPKDE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.65
Rot. Bonds1

About ethane;1-methoxy-2,4,5-trimethylbenzene

ethane;1-methoxy-2,4,5-trimethylbenzene (PubChem CID 143418687) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-methoxy-2,4,5-trimethylbenzene.

Molecular Properties

Compound Nameethane;1-methoxy-2,4,5-trimethylbenzene
PubChem CID143418687
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;1-methoxy-2,4,5-trimethylbenzene
SMILESCC.COc1cc(C)c(C)cc1C
InChIInChI=1S/C10H14O.C2H6/c1-7-5-9(3)10(11-4)6-8(7)2;1-2/h5-6H,1-4H3;1-2H3
InChIKeyMSFZVYXJIGPKDE-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

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
bis(4-methoxy-2,5-dimethylphenyl)phosphane
CID 175501578
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride
CID 175501577
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2,4,5-trimethylbenzene?
The IUPAC name of ethane;1-methoxy-2,4,5-trimethylbenzene (CID 143418687) is ethane;1-methoxy-2,4,5-trimethylbenzene.
What is the SMILES notation for ethane;1-methoxy-2,4,5-trimethylbenzene?
The canonical SMILES for ethane;1-methoxy-2,4,5-trimethylbenzene is CC.COc1cc(C)c(C)cc1C.
What is the InChIKey of ethane;1-methoxy-2,4,5-trimethylbenzene?
The InChIKey is MSFZVYXJIGPKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-7-5-9(3)10(11-4)6-8(7)2;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;1-methoxy-2,4,5-trimethylbenzene?
ethane;1-methoxy-2,4,5-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;1-methoxy-2,4,5-trimethylbenzene is sourced from PubChem (CID 143418687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).