1-(3-ethylphenoxy)cycloheptene

C15H20O — CID 90889696

IUPAC1-(3-ethylphenoxy)cycloheptene
SMILESCCc1cccc(OC2=CCCCCC2)c1
InChIInChI=1S/C15H20O/c1-2-13-8-7-11-15(12-13)16-14-9-5-3-4-6-10-14/h7-9,11-12H,2-6,10H2,1H3
InChIKeyGXDWYWCJXGCOBZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-ethylphenoxy)cycloheptene

1-(3-ethylphenoxy)cycloheptene (PubChem CID 90889696) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)cycloheptene.

Molecular Properties

Compound Name1-(3-ethylphenoxy)cycloheptene
PubChem CID90889696
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(3-ethylphenoxy)cycloheptene
SMILESCCc1cccc(OC2=CCCCCC2)c1
InChIInChI=1S/C15H20O/c1-2-13-8-7-11-15(12-13)16-14-9-5-3-4-6-10-14/h7-9,11-12H,2-6,10H2,1H3
InChIKeyGXDWYWCJXGCOBZ-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)cycloheptene?
The IUPAC name of 1-(3-ethylphenoxy)cycloheptene (CID 90889696) is 1-(3-ethylphenoxy)cycloheptene.
What is the SMILES notation for 1-(3-ethylphenoxy)cycloheptene?
The canonical SMILES for 1-(3-ethylphenoxy)cycloheptene is CCc1cccc(OC2=CCCCCC2)c1.
What is the InChIKey of 1-(3-ethylphenoxy)cycloheptene?
The InChIKey is GXDWYWCJXGCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-13-8-7-11-15(12-13)16-14-9-5-3-4-6-10-14/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of 1-(3-ethylphenoxy)cycloheptene?
1-(3-ethylphenoxy)cycloheptene has a molecular weight of 216.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)cycloheptene is sourced from PubChem (CID 90889696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).