1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one

C34H32O6 — CID 68788216

IUPAC1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(C2(c3ccc(OCC(C)O)cc3)c3ccccc3-c3ccccc32)cc1.O=C1C=CO1
InChIInChI=1S/C31H30O4.C3H2O2/c1-21(32)19-34-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)35-20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31;4-3-1-2-5-3/h3-18,21-22,32-33H,19-20H2,1-2H3;1-2H
InChIKeySYXXAVUXXFCPAF-UHFFFAOYSA-N
MW536.62 g/mol
LogP5.63
Rot. Bonds8

About 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one

1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one (PubChem CID 68788216) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one.

Molecular Properties

Compound Name1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
PubChem CID68788216
Molecular FormulaC34H32O6
Molecular Weight536.62 g/mol
Exact Mass536.22
IUPAC Name1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
SMILESCC(O)COc1ccc(C2(c3ccc(OCC(C)O)cc3)c3ccccc3-c3ccccc32)cc1.O=C1C=CO1
InChIInChI=1S/C31H30O4.C3H2O2/c1-21(32)19-34-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)35-20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31;4-3-1-2-5-3/h3-18,21-22,32-33H,19-20H2,1-2H3;1-2H
InChIKeySYXXAVUXXFCPAF-UHFFFAOYSA-N
XLogP5.63
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
CID 68788196
[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium
CID 59270983
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
4-[2-[4-[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
CID 70949053
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055
3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
CID 71003810
6-[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]carbonylcyclohex-3-ene-1-carboxylic acid
CID 59270985
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol
CID 71003793
1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 68792294
[(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one?
The IUPAC name of 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one (CID 68788216) is 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one.
What is the SMILES notation for 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one?
The canonical SMILES for 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one is CC(O)COc1ccc(C2(c3ccc(OCC(C)O)cc3)c3ccccc3-c3ccccc32)cc1.O=C1C=CO1.
What is the InChIKey of 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one?
The InChIKey is SYXXAVUXXFCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4.C3H2O2/c1-21(32)19-34-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)35-20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31;4-3-1-2-5-3/h3-18,21-22,32-33H,19-20H2,1-2H3;1-2H.
What are the key properties of 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one?
1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one has a molecular weight of 536.62 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one is sourced from PubChem (CID 68788216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).