2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol

C25H14Cl4O2 — CID 142692075

IUPAC2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1c(Cl)ccc(C2(c3ccc(Cl)c(O)c3Cl)c3ccccc3-c3ccccc32)c1Cl
InChIInChI=1S/C25H14Cl4O2/c26-19-11-9-17(21(28)23(19)30)25(18-10-12-20(27)24(31)22(18)29)15-7-3-1-5-13(15)14-6-2-4-8-16(14)25/h1-12,30-31H
InChIKeyCOUBPTQZJKVFEE-UHFFFAOYSA-N
MW488.20 g/mol
LogP8.07
Rot. Bonds2

About 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol

2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 142692075) has the molecular formula C25H14Cl4O2 and a molecular weight of 488.20 g/mol. Its IUPAC name is 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID142692075
Molecular FormulaC25H14Cl4O2
Molecular Weight488.20 g/mol
Exact Mass485.97
IUPAC Name2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1c(Cl)ccc(C2(c3ccc(Cl)c(O)c3Cl)c3ccccc3-c3ccccc32)c1Cl
InChIInChI=1S/C25H14Cl4O2/c26-19-11-9-17(21(28)23(19)30)25(18-10-12-20(27)24(31)22(18)29)15-7-3-1-5-13(15)14-6-2-4-8-16(14)25/h1-12,30-31H
InChIKeyCOUBPTQZJKVFEE-UHFFFAOYSA-N
XLogP8.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.20
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 154338119
1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567767
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
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
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol (CID 142692075) is 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol is Oc1c(Cl)ccc(C2(c3ccc(Cl)c(O)c3Cl)c3ccccc3-c3ccccc32)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is COUBPTQZJKVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl4O2/c26-19-11-9-17(21(28)23(19)30)25(18-10-12-20(27)24(31)22(18)29)15-7-3-1-5-13(15)14-6-2-4-8-16(14)25/h1-12,30-31H.
What are the key properties of 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol?
2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 488.20 g/mol, XLogP of 8.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 142692075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).