ethane;1-(ethoxymethyl)-2-methylbenzene

C12H20O — CID 143583110

IUPACethane;1-(ethoxymethyl)-2-methylbenzene
SMILESCC.CCOCc1ccccc1C
InChIInChI=1S/C10H14O.C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;1-2/h4-7H,3,8H2,1-2H3;1-2H3
InChIKeyOWYPEDGEHIVLCF-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.56
Rot. Bonds3

About ethane;1-(ethoxymethyl)-2-methylbenzene

ethane;1-(ethoxymethyl)-2-methylbenzene (PubChem CID 143583110) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-(ethoxymethyl)-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-(ethoxymethyl)-2-methylbenzene
PubChem CID143583110
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;1-(ethoxymethyl)-2-methylbenzene
SMILESCC.CCOCc1ccccc1C
InChIInChI=1S/C10H14O.C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;1-2/h4-7H,3,8H2,1-2H3;1-2H3
InChIKeyOWYPEDGEHIVLCF-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144908346
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
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(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
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1-(ethoxymethyl)-2-methylsulfanylbenzene
CID 91470135
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
ethane;(2-methylphenyl)methyl acetate
CID 143177732
1-(chloromethyl)-2-methylbenzene
CID 11093
2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79661646
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138

Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethoxymethyl)-2-methylbenzene?
The IUPAC name of ethane;1-(ethoxymethyl)-2-methylbenzene (CID 143583110) is ethane;1-(ethoxymethyl)-2-methylbenzene.
What is the SMILES notation for ethane;1-(ethoxymethyl)-2-methylbenzene?
The canonical SMILES for ethane;1-(ethoxymethyl)-2-methylbenzene is CC.CCOCc1ccccc1C.
What is the InChIKey of ethane;1-(ethoxymethyl)-2-methylbenzene?
The InChIKey is OWYPEDGEHIVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-3-11-8-10-7-5-4-6-9(10)2;1-2/h4-7H,3,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(ethoxymethyl)-2-methylbenzene?
ethane;1-(ethoxymethyl)-2-methylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethoxymethyl)-2-methylbenzene is sourced from PubChem (CID 143583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).