7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

C18H18O2 — CID 2915314

IUPAC7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc2c(c1)C(=O)CCC2c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-14-8-9-16-15(13-6-4-3-5-7-13)10-11-18(19)17(16)12-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyRDNAKEWKKOHTQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds3

About 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 2915314) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID2915314
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc2c(c1)C(=O)CCC2c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-20-14-8-9-16-15(13-6-4-3-5-7-13)10-11-18(19)17(16)12-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyRDNAKEWKKOHTQU-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 2915314) is 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is CCOc1ccc2c(c1)C(=O)CCC2c1ccccc1.
What is the InChIKey of 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RDNAKEWKKOHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-14-8-9-16-15(13-6-4-3-5-7-13)10-11-18(19)17(16)12-14/h3-9,12,15H,2,10-11H2,1H3.
What are the key properties of 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 2915314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).