2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol

C25H18O4 — CID 139891134

IUPAC2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1C1(c2c(O)cccc2O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O4/c26-19-11-5-12-20(27)23(19)25(24-21(28)13-6-14-22(24)29)17-9-3-1-7-15(17)16-8-2-4-10-18(16)25/h1-14,26-29H
InChIKeyKLMDQZOPWDOTDW-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.87
Rot. Bonds2

About 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol

2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol (PubChem CID 139891134) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
PubChem CID139891134
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1C1(c2c(O)cccc2O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O4/c26-19-11-5-12-20(27)23(19)25(24-21(28)13-6-14-22(24)29)17-9-3-1-7-15(17)16-8-2-4-10-18(16)25/h1-14,26-29H
InChIKeyKLMDQZOPWDOTDW-UHFFFAOYSA-N
XLogP4.87
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
spiro[fluorene-9,16'-heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene]
CID 155624644
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
9,9-dinaphthalen-1-ylfluorene
CID 140680296
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
4-[9-(2,3,4-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,3-triol
CID 172681217

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The IUPAC name of 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol (CID 139891134) is 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The canonical SMILES for 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol is Oc1cccc(O)c1C1(c2c(O)cccc2O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The InChIKey is KLMDQZOPWDOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-19-11-5-12-20(27)23(19)25(24-21(28)13-6-14-22(24)29)17-9-3-1-7-15(17)16-8-2-4-10-18(16)25/h1-14,26-29H.
What are the key properties of 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol has a molecular weight of 382.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol is sourced from PubChem (CID 139891134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).