6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one

C17H16O3 — CID 22325058

IUPAC6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1Oc1ccccc1)CCCC2=O
InChIInChI=1S/C17H16O3/c1-19-16-11-10-13-14(8-5-9-15(13)18)17(16)20-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyPNDBBAFCTBYUIA-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.01
Rot. Bonds3

About 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22325058) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22325058
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1Oc1ccccc1)CCCC2=O
InChIInChI=1S/C17H16O3/c1-19-16-11-10-13-14(8-5-9-15(13)18)17(16)20-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyPNDBBAFCTBYUIA-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one (CID 22325058) is 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1Oc1ccccc1)CCCC2=O.
What is the InChIKey of 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PNDBBAFCTBYUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-11-10-13-14(8-5-9-15(13)18)17(16)20-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 268.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22325058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).