6-methoxy-1-phenylcycloheptene

C14H18O — CID 598423

IUPAC6-methoxy-1-phenylcycloheptene
SMILESCOC1CCCC=C(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-15-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyYOXJGUKUWBGOKL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.66
Rot. Bonds2

About 6-methoxy-1-phenylcycloheptene

6-methoxy-1-phenylcycloheptene (PubChem CID 598423) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methoxy-1-phenylcycloheptene.

Molecular Properties

Compound Name6-methoxy-1-phenylcycloheptene
PubChem CID598423
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name6-methoxy-1-phenylcycloheptene
SMILESCOC1CCCC=C(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-15-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyYOXJGUKUWBGOKL-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenylcycloheptene?
The IUPAC name of 6-methoxy-1-phenylcycloheptene (CID 598423) is 6-methoxy-1-phenylcycloheptene.
What is the SMILES notation for 6-methoxy-1-phenylcycloheptene?
The canonical SMILES for 6-methoxy-1-phenylcycloheptene is COC1CCCC=C(c2ccccc2)C1.
What is the InChIKey of 6-methoxy-1-phenylcycloheptene?
The InChIKey is YOXJGUKUWBGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12/h2-4,7-9,14H,5-6,10-11H2,1H3.
What are the key properties of 6-methoxy-1-phenylcycloheptene?
6-methoxy-1-phenylcycloheptene has a molecular weight of 202.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenylcycloheptene is sourced from PubChem (CID 598423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).