ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene

C17H22O2 — CID 143418654

IUPACethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
SMILESCC.COc1ccc(OC2=CC(C)C=CC=C2)cc1
InChIInChI=1S/C15H16O2.C2H6/c1-12-5-3-4-6-15(11-12)17-14-9-7-13(16-2)8-10-14;1-2/h3-12H,1-2H3;1-2H3
InChIKeyQVHGQMBAMCBQIG-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.75
Rot. Bonds3

About ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene

ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene (PubChem CID 143418654) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
PubChem CID143418654
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Nameethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
SMILESCC.COc1ccc(OC2=CC(C)C=CC=C2)cc1
InChIInChI=1S/C15H16O2.C2H6/c1-12-5-3-4-6-15(11-12)17-14-9-7-13(16-2)8-10-14;1-2/h3-12H,1-2H3;1-2H3
InChIKeyQVHGQMBAMCBQIG-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene (CID 143418654) is ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene is CC.COc1ccc(OC2=CC(C)C=CC=C2)cc1.
What is the InChIKey of ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene?
The InChIKey is QVHGQMBAMCBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6/c1-12-5-3-4-6-15(11-12)17-14-9-7-13(16-2)8-10-14;1-2/h3-12H,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene?
ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene has a molecular weight of 258.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).