ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene

C14H22O — CID 167502985

IUPACethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)cc1COC.CC
InChIInChI=1S/C12H16O.C2H6/c1-9(2)12-6-5-10(3)7-11(12)8-13-4;1-2/h5-7H,1,8H2,2-4H3;1-2H3
InChIKeyRMDXYPPFXYEGKL-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.20
Rot. Bonds3

About ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene

ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene (PubChem CID 167502985) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
PubChem CID167502985
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)cc1COC.CC
InChIInChI=1S/C12H16O.C2H6/c1-9(2)12-6-5-10(3)7-11(12)8-13-4;1-2/h5-7H,1,8H2,2-4H3;1-2H3
InChIKeyRMDXYPPFXYEGKL-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
CID 142999553
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
CID 145439569
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
CID 121314220
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
CID 101458254

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene (CID 167502985) is ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)cc1COC.CC.
What is the InChIKey of ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene?
The InChIKey is RMDXYPPFXYEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H6/c1-9(2)12-6-5-10(3)7-11(12)8-13-4;1-2/h5-7H,1,8H2,2-4H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene?
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 167502985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).