4-(9H-fluoren-9-yl)-2-prop-2-enylphenol

C22H18O — CID 67926728

IUPAC4-(9H-fluoren-9-yl)-2-prop-2-enylphenol
SMILESC=CCc1cc(C2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C22H18O/c1-2-7-15-14-16(12-13-21(15)23)22-19-10-5-3-8-17(19)18-9-4-6-11-20(18)22/h2-6,8-14,22-23H,1,7H2
InChIKeyBMTLCFKYUMUHHT-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.28
Rot. Bonds3

About 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol

4-(9H-fluoren-9-yl)-2-prop-2-enylphenol (PubChem CID 67926728) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)-2-prop-2-enylphenol
PubChem CID67926728
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name4-(9H-fluoren-9-yl)-2-prop-2-enylphenol
SMILESC=CCc1cc(C2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C22H18O/c1-2-7-15-14-16(12-13-21(15)23)22-19-10-5-3-8-17(19)18-9-4-6-11-20(18)22/h2-6,8-14,22-23H,1,7H2
InChIKeyBMTLCFKYUMUHHT-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol?
The IUPAC name of 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol (CID 67926728) is 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol.
What is the SMILES notation for 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol?
The canonical SMILES for 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol is C=CCc1cc(C2c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol?
The InChIKey is BMTLCFKYUMUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-7-15-14-16(12-13-21(15)23)22-19-10-5-3-8-17(19)18-9-4-6-11-20(18)22/h2-6,8-14,22-23H,1,7H2.
What are the key properties of 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol?
4-(9H-fluoren-9-yl)-2-prop-2-enylphenol has a molecular weight of 298.39 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)-2-prop-2-enylphenol is sourced from PubChem (CID 67926728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).