3-anthracen-9-ylphenol

C20H14O — CID 91210590

IUPAC3-anthracen-9-ylphenol
SMILESOc1cccc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H14O/c21-17-9-5-8-16(13-17)20-18-10-3-1-6-14(18)12-15-7-2-4-11-19(15)20/h1-13,21H
InChIKeyNVTCWBNLYNWAEK-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.37
Rot. Bonds1

About 3-anthracen-9-ylphenol

3-anthracen-9-ylphenol (PubChem CID 91210590) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-anthracen-9-ylphenol.

Molecular Properties

Compound Name3-anthracen-9-ylphenol
PubChem CID91210590
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name3-anthracen-9-ylphenol
SMILESOc1cccc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H14O/c21-17-9-5-8-16(13-17)20-18-10-3-1-6-14(18)12-15-7-2-4-11-19(15)20/h1-13,21H
InChIKeyNVTCWBNLYNWAEK-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
3-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 15481238
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol
CID 143552197
4-anthracen-9-yl-2-methylphenol
CID 156873853
tris(3-anthracen-9-ylphenyl)-methylphosphanium
CID 139257749
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
CID 11047500

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-ylphenol?
The IUPAC name of 3-anthracen-9-ylphenol (CID 91210590) is 3-anthracen-9-ylphenol.
What is the SMILES notation for 3-anthracen-9-ylphenol?
The canonical SMILES for 3-anthracen-9-ylphenol is Oc1cccc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 3-anthracen-9-ylphenol?
The InChIKey is NVTCWBNLYNWAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c21-17-9-5-8-16(13-17)20-18-10-3-1-6-14(18)12-15-7-2-4-11-19(15)20/h1-13,21H.
What are the key properties of 3-anthracen-9-ylphenol?
3-anthracen-9-ylphenol has a molecular weight of 270.33 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-ylphenol is sourced from PubChem (CID 91210590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).