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

C13H22O — CID 144908346

IUPACethane;1-methyl-2-(propoxymethyl)benzene
SMILESCC.CCCOCc1ccccc1C
InChIInChI=1S/C11H16O.C2H6/c1-3-8-12-9-11-7-5-4-6-10(11)2;1-2/h4-7H,3,8-9H2,1-2H3;1-2H3
InChIKeyIJLXSIBOQOTWKU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.95
Rot. Bonds4

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

ethane;1-methyl-2-(propoxymethyl)benzene (PubChem CID 144908346) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;1-methyl-2-(propoxymethyl)benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-(propoxymethyl)benzene
PubChem CID144908346
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;1-methyl-2-(propoxymethyl)benzene
SMILESCC.CCCOCc1ccccc1C
InChIInChI=1S/C11H16O.C2H6/c1-3-8-12-9-11-7-5-4-6-10(11)2;1-2/h4-7H,3,8-9H2,1-2H3;1-2H3
InChIKeyIJLXSIBOQOTWKU-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
1-bromo-2-methyl-3-(propoxymethyl)benzene
CID 70271929
4-(2-methylphenyl)-1-propoxybutan-2-ol
CID 105111883
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium
CID 3022966
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
CID 115465015
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(propoxymethyl)benzene?
The IUPAC name of ethane;1-methyl-2-(propoxymethyl)benzene (CID 144908346) is ethane;1-methyl-2-(propoxymethyl)benzene.
What is the SMILES notation for ethane;1-methyl-2-(propoxymethyl)benzene?
The canonical SMILES for ethane;1-methyl-2-(propoxymethyl)benzene is CC.CCCOCc1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-(propoxymethyl)benzene?
The InChIKey is IJLXSIBOQOTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H6/c1-3-8-12-9-11-7-5-4-6-10(11)2;1-2/h4-7H,3,8-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-2-(propoxymethyl)benzene?
ethane;1-methyl-2-(propoxymethyl)benzene has a molecular weight of 194.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(propoxymethyl)benzene is sourced from PubChem (CID 144908346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).