1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol

C27H20O — CID 102214824

IUPAC1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=C/Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H20O/c28-27-17-16-19-8-1-4-11-22(19)26(27)15-7-14-25-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)25/h1-13,15-18,28H,14H2/b15-7+
InChIKeyUHYBXJMJLCSLGI-VIZOYTHASA-N
MW360.46 g/mol
LogP7.11
Rot. Bonds3

About 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol

1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol (PubChem CID 102214824) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
PubChem CID102214824
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=C/Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H20O/c28-27-17-16-19-8-1-4-11-22(19)26(27)15-7-14-25-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)25/h1-13,15-18,28H,14H2/b15-7+
InChIKeyUHYBXJMJLCSLGI-VIZOYTHASA-N
XLogP7.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.11
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-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
CID 102214825
1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
CID 44516242
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
1-prop-1-enylanthracen-2-ol
CID 88685593
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
1-(2,2-dibromoethenyl)naphthalen-2-ol
CID 25096638
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
9-pent-1-enylanthracene
CID 173045692
4-anthracen-9-ylbut-3-enamide
CID 170798903

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol (CID 102214824) is 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=C/Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol?
The InChIKey is UHYBXJMJLCSLGI-VIZOYTHASA-N. The full InChI is InChI=1S/C27H20O/c28-27-17-16-19-8-1-4-11-22(19)26(27)15-7-14-25-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)25/h1-13,15-18,28H,14H2/b15-7+.
What are the key properties of 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol?
1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol has a molecular weight of 360.46 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol is sourced from PubChem (CID 102214824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).