2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol

C33H34O2 — CID 18410576

IUPAC2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESCCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3
InChIKeyVFIWRWAGUSQPKU-UHFFFAOYSA-N
MW462.63 g/mol
LogP8.15
Rot. Bonds8

About 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol

2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 18410576) has the molecular formula C33H34O2 and a molecular weight of 462.63 g/mol. Its IUPAC name is 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID18410576
Molecular FormulaC33H34O2
Molecular Weight462.63 g/mol
Exact Mass462.26
IUPAC Name2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESCCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3
InChIKeyVFIWRWAGUSQPKU-UHFFFAOYSA-N
XLogP8.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
CID 130394565
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
4-[12,12-dibutyl-6-(4-hydroxyphenyl)indeno[1,2-b]fluoren-6-yl]phenol
CID 58544536
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 118667882
4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
CID 67410970
6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 161116594
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol (CID 18410576) is 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol is CCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is VFIWRWAGUSQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3.
What are the key properties of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 462.63 g/mol, XLogP of 8.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 18410576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).