ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one

C17H22O2 — CID 144912356

IUPACethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one
SMILESCC.COC1=C(C)CCC=C1c1cccccc1=O
InChIInChI=1S/C15H16O2.C2H6/c1-11-7-6-9-13(15(11)17-2)12-8-4-3-5-10-14(12)16;1-2/h3-5,8-10H,6-7H2,1-2H3;1-2H3
InChIKeyFNIJGXIGUAZRFB-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.17
Rot. Bonds2

About ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one

ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one (PubChem CID 144912356) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Nameethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one
PubChem CID144912356
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Nameethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one
SMILESCC.COC1=C(C)CCC=C1c1cccccc1=O
InChIInChI=1S/C15H16O2.C2H6/c1-11-7-6-9-13(15(11)17-2)12-8-4-3-5-10-14(12)16;1-2/h3-5,8-10H,6-7H2,1-2H3;1-2H3
InChIKeyFNIJGXIGUAZRFB-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one (CID 144912356) is ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one is CC.COC1=C(C)CCC=C1c1cccccc1=O.
What is the InChIKey of ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is FNIJGXIGUAZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6/c1-11-7-6-9-13(15(11)17-2)12-8-4-3-5-10-14(12)16;1-2/h3-5,8-10H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one?
ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-methoxy-5-methylcyclohexa-1,5-dien-1-yl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 144912356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).