9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene

C33H30O2 — CID 18704292

IUPAC9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
SMILESC=C(C)COc1ccc(C2(c3ccc(OCC(=C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H30O2/c1-23(2)21-34-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)35-22-24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20H,1,3,21-22H2,2,4H3
InChIKeyVWDYTUXDPZJRTM-UHFFFAOYSA-N
MW458.60 g/mol
LogP7.96
Rot. Bonds8

About 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene

9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene (PubChem CID 18704292) has the molecular formula C33H30O2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
PubChem CID18704292
Molecular FormulaC33H30O2
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
SMILESC=C(C)COc1ccc(C2(c3ccc(OCC(=C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H30O2/c1-23(2)21-34-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)35-22-24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20H,1,3,21-22H2,2,4H3
InChIKeyVWDYTUXDPZJRTM-UHFFFAOYSA-N
XLogP7.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenyl] 2-methylprop-2-eneperoxoate
CID 118227614
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-methyl-6-[4-[9-[4-(5-methyl-3,4-dioxohex-5-enoxy)phenyl]fluoren-9-yl]phenoxy]hex-1-ene-3,4-dione
CID 66717671
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene (CID 18704292) is 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene is C=C(C)COc1ccc(C2(c3ccc(OCC(=C)C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene?
The InChIKey is VWDYTUXDPZJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2/c1-23(2)21-34-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)35-22-24(3)4)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20H,1,3,21-22H2,2,4H3.
What are the key properties of 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene?
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene has a molecular weight of 458.60 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene is sourced from PubChem (CID 18704292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).