1-anthracen-1-yl-1-phenylethanol

C22H18O — CID 2793943

IUPAC1-anthracen-1-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H18O/c1-22(23,19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21/h2-15,23H,1H3
InChIKeyHZJUQBINBBJUNI-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.25
Rot. Bonds2

About 1-anthracen-1-yl-1-phenylethanol

1-anthracen-1-yl-1-phenylethanol (PubChem CID 2793943) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-anthracen-1-yl-1-phenylethanol.

Molecular Properties

Compound Name1-anthracen-1-yl-1-phenylethanol
PubChem CID2793943
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name1-anthracen-1-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H18O/c1-22(23,19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21/h2-15,23H,1H3
InChIKeyHZJUQBINBBJUNI-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.25
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

1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol
CID 87888800
1-(4-chlorophenyl)-1-naphthalen-1-ylethanol
CID 62787612
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
3-anthracen-1-ylpentan-3-ylphosphane
CID 175417389
(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387
(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
CID 164669380
1-(2-anthracen-1-yldecan-2-yl)anthracene
CID 173387096
1-(2-phenylpropan-2-yl)acridine
CID 175451537
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-1-yl-1-phenylethanol?
The IUPAC name of 1-anthracen-1-yl-1-phenylethanol (CID 2793943) is 1-anthracen-1-yl-1-phenylethanol.
What is the SMILES notation for 1-anthracen-1-yl-1-phenylethanol?
The canonical SMILES for 1-anthracen-1-yl-1-phenylethanol is CC(O)(c1ccccc1)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-anthracen-1-yl-1-phenylethanol?
The InChIKey is HZJUQBINBBJUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-22(23,19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21/h2-15,23H,1H3.
What are the key properties of 1-anthracen-1-yl-1-phenylethanol?
1-anthracen-1-yl-1-phenylethanol has a molecular weight of 298.38 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-1-yl-1-phenylethanol is sourced from PubChem (CID 2793943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).