4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol

C31H28O2 — CID 130371878

IUPAC4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C2(c3ccc(O)c(CC=C)c3)C3=CC=CCC3c3ccccc32)ccc1O
InChIInChI=1S/C31H28O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-8,11,13-20,26,32-33H,1-2,9-10,12H2
InChIKeyWOBXKBRVQLHEKR-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.87
Rot. Bonds6

About 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol

4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol (PubChem CID 130371878) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol
PubChem CID130371878
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C2(c3ccc(O)c(CC=C)c3)C3=CC=CCC3c3ccccc32)ccc1O
InChIInChI=1S/C31H28O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-8,11,13-20,26,32-33H,1-2,9-10,12H2
InChIKeyWOBXKBRVQLHEKR-UHFFFAOYSA-N
XLogP6.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol (CID 130371878) is 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol is C=CCc1cc(C2(c3ccc(O)c(CC=C)c3)C3=CC=CCC3c3ccccc32)ccc1O.
What is the InChIKey of 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The InChIKey is WOBXKBRVQLHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-8,11,13-20,26,32-33H,1-2,9-10,12H2.
What are the key properties of 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol has a molecular weight of 432.56 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol is sourced from PubChem (CID 130371878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).