5-phenylnaphthalene-2,3-diol

C16H12O2 — CID 21407140

IUPAC5-phenylnaphthalene-2,3-diol
SMILESOc1cc2cccc(-c3ccccc3)c2cc1O
InChIInChI=1S/C16H12O2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10,17-18H
InChIKeyASYJVFOPPDNWDZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.92
Rot. Bonds1

About 5-phenylnaphthalene-2,3-diol

5-phenylnaphthalene-2,3-diol (PubChem CID 21407140) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-phenylnaphthalene-2,3-diol.

Molecular Properties

Compound Name5-phenylnaphthalene-2,3-diol
PubChem CID21407140
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name5-phenylnaphthalene-2,3-diol
SMILESOc1cc2cccc(-c3ccccc3)c2cc1O
InChIInChI=1S/C16H12O2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10,17-18H
InChIKeyASYJVFOPPDNWDZ-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

hydron;1-phenylanthracene
CID 174351162
5-phenylnaphthalene-2,3-diamine
CID 70378591
1-(2-phenylphenyl)anthracene
CID 21435778
11-phenylbenzo[a]anthracene
CID 123665695
5-phenylnaphthalen-2-amine
CID 66729016
6-(4-hydroxy-3-phenylphenyl)naphthalen-1-ol
CID 56648217
phenanthrene-2,3-diol
CID 23048019
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1-(2,3-diphenylphenyl)anthracene
CID 151584978
6-[4-(2-hydroxyphenyl)phenyl]naphthalen-1-ol
CID 138695753
1,4,8,11-tetraphenylpentacene
CID 102295223

Frequently Asked Questions

What is the IUPAC name of 5-phenylnaphthalene-2,3-diol?
The IUPAC name of 5-phenylnaphthalene-2,3-diol (CID 21407140) is 5-phenylnaphthalene-2,3-diol.
What is the SMILES notation for 5-phenylnaphthalene-2,3-diol?
The canonical SMILES for 5-phenylnaphthalene-2,3-diol is Oc1cc2cccc(-c3ccccc3)c2cc1O.
What is the InChIKey of 5-phenylnaphthalene-2,3-diol?
The InChIKey is ASYJVFOPPDNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-10,17-18H.
What are the key properties of 5-phenylnaphthalene-2,3-diol?
5-phenylnaphthalene-2,3-diol has a molecular weight of 236.27 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylnaphthalene-2,3-diol is sourced from PubChem (CID 21407140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).