1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol

C33H34O4 — CID 139725546

IUPAC1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H34O4/c1-3-25(34)21-36-27-17-13-23(14-18-27)33(24-15-19-28(20-16-24)37-22-26(35)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20,25-26,34-35H,3-4,21-22H2,1-2H3
InChIKeyFSSZNPNGMUMPQM-UHFFFAOYSA-N
MW494.63 g/mol
LogP6.35
Rot. Bonds10

About 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol

1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol (PubChem CID 139725546) has the molecular formula C33H34O4 and a molecular weight of 494.63 g/mol. Its IUPAC name is 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
PubChem CID139725546
Molecular FormulaC33H34O4
Molecular Weight494.63 g/mol
Exact Mass494.25
IUPAC Name1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H34O4/c1-3-25(34)21-36-27-17-13-23(14-18-27)33(24-15-19-28(20-16-24)37-22-26(35)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20,25-26,34-35H,3-4,21-22H2,1-2H3
InChIKeyFSSZNPNGMUMPQM-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
CID 71003810
2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol
CID 71003793
ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 157218436
1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
CID 68788216
(2S)-1-[4-[9-[4-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]fluoren-9-yl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 98308819
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
3-[4-[9-[4-(3-butoxy-2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]-2-methylpropan-1-ol
CID 159370670
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
4-[2-[4-[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
CID 70949053
[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium
CID 59270983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol?
The IUPAC name of 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol (CID 139725546) is 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol is CCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol?
The InChIKey is FSSZNPNGMUMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O4/c1-3-25(34)21-36-27-17-13-23(14-18-27)33(24-15-19-28(20-16-24)37-22-26(35)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h5-20,25-26,34-35H,3-4,21-22H2,1-2H3.
What are the key properties of 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol?
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol has a molecular weight of 494.63 g/mol, XLogP of 6.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol is sourced from PubChem (CID 139725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).