7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

C17H16O2 — CID 14068220

IUPAC7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H16O2/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyWGTDBZGNCWHCCL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.78
Rot. Bonds3

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

7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 14068220) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID14068220
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H16O2/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyWGTDBZGNCWHCCL-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 14068220) is 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WGTDBZGNCWHCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2.
What are the key properties of 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 14068220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).