1-phenylselanylnaphthalen-2-ol

C16H12OSe — CID 12698118

IUPAC1-phenylselanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C16H12OSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11,17H
InChIKeyQETYWKAAAKIBEZ-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.20
Rot. Bonds2

About 1-phenylselanylnaphthalen-2-ol

1-phenylselanylnaphthalen-2-ol (PubChem CID 12698118) has the molecular formula C16H12OSe and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-phenylselanylnaphthalen-2-ol.

Molecular Properties

Compound Name1-phenylselanylnaphthalen-2-ol
PubChem CID12698118
Molecular FormulaC16H12OSe
Molecular Weight299.23 g/mol
Exact Mass300.01
IUPAC Name1-phenylselanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C16H12OSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11,17H
InChIKeyQETYWKAAAKIBEZ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylselanylnaphthalen-2-amine
CID 162416467
1-fluoronaphthalen-2-ol
CID 11094948
1-phenylselanylnaphthalene
CID 11196823
1-iodonaphthalen-2-ol
CID 16250
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
1-phenoxynaphthalen-2-ol
CID 5271325
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
(2-hydroxynaphthalen-1-yl)oxy-methyl-diphenylphosphanium
CID 175519096
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
2-phenylselanylnaphthalene
CID 10062344
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanylnaphthalen-2-ol?
The IUPAC name of 1-phenylselanylnaphthalen-2-ol (CID 12698118) is 1-phenylselanylnaphthalen-2-ol.
What is the SMILES notation for 1-phenylselanylnaphthalen-2-ol?
The canonical SMILES for 1-phenylselanylnaphthalen-2-ol is Oc1ccc2ccccc2c1[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanylnaphthalen-2-ol?
The InChIKey is QETYWKAAAKIBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11,17H.
What are the key properties of 1-phenylselanylnaphthalen-2-ol?
1-phenylselanylnaphthalen-2-ol has a molecular weight of 299.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylnaphthalen-2-ol is sourced from PubChem (CID 12698118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).