1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one

C21H20O2 — CID 168865440

IUPAC1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one
SMILESCOc1ccc2ccccc2c1C1C(=O)CCC2CC=CC=C21
InChIInChI=1S/C21H20O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-5,7-9,11,13-14,20H,6,10,12H2,1H3
InChIKeyQGIGFHZUWWZVHA-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.80
Rot. Bonds2

About 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one

1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one (PubChem CID 168865440) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one
PubChem CID168865440
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one
SMILESCOc1ccc2ccccc2c1C1C(=O)CCC2CC=CC=C21
InChIInChI=1S/C21H20O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-5,7-9,11,13-14,20H,6,10,12H2,1H3
InChIKeyQGIGFHZUWWZVHA-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one (CID 168865440) is 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one is COc1ccc2ccccc2c1C1C(=O)CCC2CC=CC=C21.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one?
The InChIKey is QGIGFHZUWWZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-5,7-9,11,13-14,20H,6,10,12H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one?
1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one has a molecular weight of 304.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3,4,4a,5-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 168865440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).