2-ethyl-10-phenylanthracen-9-ol

C22H18O — CID 71405477

IUPAC2-ethyl-10-phenylanthracen-9-ol
SMILESCCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1
InChIInChI=1S/C22H18O/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16/h3-14,23H,2H2,1H3
InChIKeyMEZYPQBLDMZBAI-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.93
Rot. Bonds2

About 2-ethyl-10-phenylanthracen-9-ol

2-ethyl-10-phenylanthracen-9-ol (PubChem CID 71405477) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-ethyl-10-phenylanthracen-9-ol.

Molecular Properties

Compound Name2-ethyl-10-phenylanthracen-9-ol
PubChem CID71405477
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-10-phenylanthracen-9-ol
SMILESCCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1
InChIInChI=1S/C22H18O/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16/h3-14,23H,2H2,1H3
InChIKeyMEZYPQBLDMZBAI-UHFFFAOYSA-N
XLogP5.93
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 ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-phenylanthracen-9-ol?
The IUPAC name of 2-ethyl-10-phenylanthracen-9-ol (CID 71405477) is 2-ethyl-10-phenylanthracen-9-ol.
What is the SMILES notation for 2-ethyl-10-phenylanthracen-9-ol?
The canonical SMILES for 2-ethyl-10-phenylanthracen-9-ol is CCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1.
What is the InChIKey of 2-ethyl-10-phenylanthracen-9-ol?
The InChIKey is MEZYPQBLDMZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16/h3-14,23H,2H2,1H3.
What are the key properties of 2-ethyl-10-phenylanthracen-9-ol?
2-ethyl-10-phenylanthracen-9-ol has a molecular weight of 298.38 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-phenylanthracen-9-ol is sourced from PubChem (CID 71405477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).