8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one

C14H16O2 — CID 10353264

IUPAC8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
SMILESC=CCC1C(=O)CCc2cccc(OC)c21
InChIInChI=1S/C14H16O2/c1-3-5-11-12(15)9-8-10-6-4-7-13(16-2)14(10)11/h3-4,6-7,11H,1,5,8-9H2,2H3
InChIKeyWGYKCSHHRHMQED-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.87
Rot. Bonds3

About 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one

8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 10353264) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID10353264
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
SMILESC=CCC1C(=O)CCc2cccc(OC)c21
InChIInChI=1S/C14H16O2/c1-3-5-11-12(15)9-8-10-6-4-7-13(16-2)14(10)11/h3-4,6-7,11H,1,5,8-9H2,2H3
InChIKeyWGYKCSHHRHMQED-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one (CID 10353264) is 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one is C=CCC1C(=O)CCc2cccc(OC)c21.
What is the InChIKey of 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is WGYKCSHHRHMQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-5-11-12(15)9-8-10-6-4-7-13(16-2)14(10)11/h3-4,6-7,11H,1,5,8-9H2,2H3.
What are the key properties of 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one?
8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 10353264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).