1-phenylmethoxy-1,4-dihydronaphthalene

C17H16O — CID 173328532

IUPAC1-phenylmethoxy-1,4-dihydronaphthalene
SMILESC1=CC(OCc2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H16O/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-9,11-12,17H,10,13H2
InChIKeyCBCWZOAPWWYWLF-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.06
Rot. Bonds3

About 1-phenylmethoxy-1,4-dihydronaphthalene

1-phenylmethoxy-1,4-dihydronaphthalene (PubChem CID 173328532) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-phenylmethoxy-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1-phenylmethoxy-1,4-dihydronaphthalene
PubChem CID173328532
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-phenylmethoxy-1,4-dihydronaphthalene
SMILESC1=CC(OCc2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H16O/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-9,11-12,17H,10,13H2
InChIKeyCBCWZOAPWWYWLF-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.06
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-phenylmethoxy-1,4-dihydronaphthalene?
The IUPAC name of 1-phenylmethoxy-1,4-dihydronaphthalene (CID 173328532) is 1-phenylmethoxy-1,4-dihydronaphthalene.
What is the SMILES notation for 1-phenylmethoxy-1,4-dihydronaphthalene?
The canonical SMILES for 1-phenylmethoxy-1,4-dihydronaphthalene is C1=CC(OCc2ccccc2)c2ccccc2C1.
What is the InChIKey of 1-phenylmethoxy-1,4-dihydronaphthalene?
The InChIKey is CBCWZOAPWWYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-9,11-12,17H,10,13H2.
What are the key properties of 1-phenylmethoxy-1,4-dihydronaphthalene?
1-phenylmethoxy-1,4-dihydronaphthalene has a molecular weight of 236.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1,4-dihydronaphthalene is sourced from PubChem (CID 173328532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).