5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one

C14H14Br2O2 — CID 14565669

IUPAC5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCC1CCc2c(Br)cc(Br)c(OC)c2C1=O
InChIInChI=1S/C14H14Br2O2/c1-3-4-8-5-6-9-10(15)7-11(16)14(18-2)12(9)13(8)17/h3,7-8H,1,4-6H2,2H3
InChIKeySYKFTUSDUZMFMR-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.54
Rot. Bonds3

About 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one

5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 14565669) has the molecular formula C14H14Br2O2 and a molecular weight of 374.07 g/mol. Its IUPAC name is 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID14565669
Molecular FormulaC14H14Br2O2
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCC1CCc2c(Br)cc(Br)c(OC)c2C1=O
InChIInChI=1S/C14H14Br2O2/c1-3-4-8-5-6-9-10(15)7-11(16)14(18-2)12(9)13(8)17/h3,7-8H,1,4-6H2,2H3
InChIKeySYKFTUSDUZMFMR-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.54
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 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one (CID 14565669) is 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one is C=CCC1CCc2c(Br)cc(Br)c(OC)c2C1=O.
What is the InChIKey of 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SYKFTUSDUZMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O2/c1-3-4-8-5-6-9-10(15)7-11(16)14(18-2)12(9)13(8)17/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one?
5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 374.07 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-8-methoxy-2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 14565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).