6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C11H14O2 — CID 70000980

IUPAC6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C11H14O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-6,8H,2-4,7H2,1H3
InChIKeyRDHKIMYPLIOGDM-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 70000980) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID70000980
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C11H14O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-6,8H,2-4,7H2,1H3
InChIKeyRDHKIMYPLIOGDM-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 70000980) is 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is COC1=CC=C2C(=O)CCCC2C1.
What is the InChIKey of 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is RDHKIMYPLIOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 70000980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).