1-phenoxy-1,4-dihydronaphthalene

C16H14O — CID 173112975

IUPAC1-phenoxy-1,4-dihydronaphthalene
SMILESC1=CC(Oc2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H14O/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-7,9-12,16H,8H2
InChIKeyPETULZSBOMYFEC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 1-phenoxy-1,4-dihydronaphthalene

1-phenoxy-1,4-dihydronaphthalene (PubChem CID 173112975) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-phenoxy-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1-phenoxy-1,4-dihydronaphthalene
PubChem CID173112975
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-phenoxy-1,4-dihydronaphthalene
SMILESC1=CC(Oc2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H14O/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-7,9-12,16H,8H2
InChIKeyPETULZSBOMYFEC-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-1,4-dihydronaphthalene?
The IUPAC name of 1-phenoxy-1,4-dihydronaphthalene (CID 173112975) is 1-phenoxy-1,4-dihydronaphthalene.
What is the SMILES notation for 1-phenoxy-1,4-dihydronaphthalene?
The canonical SMILES for 1-phenoxy-1,4-dihydronaphthalene is C1=CC(Oc2ccccc2)c2ccccc2C1.
What is the InChIKey of 1-phenoxy-1,4-dihydronaphthalene?
The InChIKey is PETULZSBOMYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-7,9-12,16H,8H2.
What are the key properties of 1-phenoxy-1,4-dihydronaphthalene?
1-phenoxy-1,4-dihydronaphthalene has a molecular weight of 222.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-1,4-dihydronaphthalene is sourced from PubChem (CID 173112975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).