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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Related Compounds

(1S,2S)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67657910
(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57286470
(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde
CID 54223811
(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
CID 10059714
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 105458034
(3aS,9bR)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 10332035
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
[8-methoxy-2-(prop-2-enylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 15645423
2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
CID 150936006
(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
CID 130681687
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
(3S)-5-methoxy-16-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-2,3-diol
CID 158553914

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).