2-anthracen-9-yl-2-phenylethanol

C22H18O — CID 87369453

IUPAC2-anthracen-9-yl-2-phenylethanol
SMILESOCC(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H18O/c23-15-21(16-8-2-1-3-9-16)22-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)22/h1-14,21,23H,15H2
InChIKeyJLTNEQRNOSTHNN-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.12
Rot. Bonds3

About 2-anthracen-9-yl-2-phenylethanol

2-anthracen-9-yl-2-phenylethanol (PubChem CID 87369453) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-anthracen-9-yl-2-phenylethanol.

Molecular Properties

Compound Name2-anthracen-9-yl-2-phenylethanol
PubChem CID87369453
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name2-anthracen-9-yl-2-phenylethanol
SMILESOCC(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H18O/c23-15-21(16-8-2-1-3-9-16)22-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)22/h1-14,21,23H,15H2
InChIKeyJLTNEQRNOSTHNN-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.12
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-(1-phenylbut-3-enyl)anthracene
CID 132849936
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
[anthracen-9-yl(phenyl)methyl]-triphenylphosphanium chloride
CID 71327082
9-(dichloromethyl)anthracene
CID 4281288
1-anthracen-9-yl-4-bromobutane-1,2-diol
CID 171893034
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
anthracen-9-yloxymethanol
CID 177108126

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-2-phenylethanol?
The IUPAC name of 2-anthracen-9-yl-2-phenylethanol (CID 87369453) is 2-anthracen-9-yl-2-phenylethanol.
What is the SMILES notation for 2-anthracen-9-yl-2-phenylethanol?
The canonical SMILES for 2-anthracen-9-yl-2-phenylethanol is OCC(c1ccccc1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-anthracen-9-yl-2-phenylethanol?
The InChIKey is JLTNEQRNOSTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c23-15-21(16-8-2-1-3-9-16)22-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)22/h1-14,21,23H,15H2.
What are the key properties of 2-anthracen-9-yl-2-phenylethanol?
2-anthracen-9-yl-2-phenylethanol has a molecular weight of 298.39 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-2-phenylethanol is sourced from PubChem (CID 87369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).