2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol

C31H26O — CID 130394565

IUPAC2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
SMILESC=CCc1cccc(C2(c3ccc(O)c(CC=C)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H26O/c1-3-10-22-12-9-13-24(20-22)31(25-18-19-30(32)23(21-25)11-4-2)28-16-7-5-14-26(28)27-15-6-8-17-29(27)31/h3-9,12-21,32H,1-2,10-11H2
InChIKeyUBOIKFOQSYMVKJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.21
Rot. Bonds6

About 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol

2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol (PubChem CID 130394565) has the molecular formula C31H26O and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
PubChem CID130394565
Molecular FormulaC31H26O
Molecular Weight414.55 g/mol
Exact Mass414.20
IUPAC Name2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
SMILESC=CCc1cccc(C2(c3ccc(O)c(CC=C)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H26O/c1-3-10-22-12-9-13-24(20-22)31(25-18-19-30(32)23(21-25)11-4-2)28-16-7-5-14-26(28)27-15-6-8-17-29(27)31/h3-9,12-21,32H,1-2,10-11H2
InChIKeyUBOIKFOQSYMVKJ-UHFFFAOYSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[9-(4-hydroxy-3-prop-2-enylphenyl)fluoren-9-yl]-2-methylphenol
CID 69497823
4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol
CID 170225979
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 18410576
2-(3-prop-2-enylphenyl)phenol
CID 174695353
4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol
CID 130371878
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
CID 139341266
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
4-(9H-fluoren-9-yl)-2-prop-2-enylphenol
CID 67926728

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol (CID 130394565) is 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol is C=CCc1cccc(C2(c3ccc(O)c(CC=C)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol?
The InChIKey is UBOIKFOQSYMVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O/c1-3-10-22-12-9-13-24(20-22)31(25-18-19-30(32)23(21-25)11-4-2)28-16-7-5-14-26(28)27-15-6-8-17-29(27)31/h3-9,12-21,32H,1-2,10-11H2.
What are the key properties of 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol?
2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol has a molecular weight of 414.55 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 130394565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).