ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene

C13H22O2 — CID 154665730

IUPACethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
SMILESCC.COc1ccccc1COC(C)C
InChIInChI=1S/C11H16O2.C2H6/c1-9(2)13-8-10-6-4-5-7-11(10)12-3;1-2/h4-7,9H,8H2,1-3H3;1-2H3
InChIKeyVVPRTVIFICMTRT-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.65
Rot. Bonds4

About ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene

ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene (PubChem CID 154665730) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
PubChem CID154665730
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
SMILESCC.COc1ccccc1COC(C)C
InChIInChI=1S/C11H16O2.C2H6/c1-9(2)13-8-10-6-4-5-7-11(10)12-3;1-2/h4-7,9H,8H2,1-3H3;1-2H3
InChIKeyVVPRTVIFICMTRT-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101195448
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
N-[(2-methoxyphenyl)methoxy]methanamine
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CID 7432380
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
N-[[di(propan-2-yl)amino]-[(2-methoxyphenyl)methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410244
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
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1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene?
The IUPAC name of ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene (CID 154665730) is ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene?
The canonical SMILES for ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene is CC.COc1ccccc1COC(C)C.
What is the InChIKey of ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene?
The InChIKey is VVPRTVIFICMTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-9(2)13-8-10-6-4-5-7-11(10)12-3;1-2/h4-7,9H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene?
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene has a molecular weight of 210.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 154665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).