2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol

C29H26O4 — CID 154338119

IUPAC2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
SMILESCCc1c(O)ccc(C2(c3ccc(O)c(CC)c3O)c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C29H26O4/c1-3-17-25(30)15-13-23(27(17)32)29(24-14-16-26(31)18(4-2)28(24)33)21-11-7-5-9-19(21)20-10-6-8-12-22(20)29/h5-16,30-33H,3-4H2,1-2H3
InChIKeyMCIBDXOFUWUNSF-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.00
Rot. Bonds4

About 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol

2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol (PubChem CID 154338119) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
PubChem CID154338119
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
SMILESCCc1c(O)ccc(C2(c3ccc(O)c(CC)c3O)c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C29H26O4/c1-3-17-25(30)15-13-23(27(17)32)29(24-14-16-26(31)18(4-2)28(24)33)21-11-7-5-9-19(21)20-10-6-8-12-22(20)29/h5-16,30-33H,3-4H2,1-2H3
InChIKeyMCIBDXOFUWUNSF-UHFFFAOYSA-N
XLogP6.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
4-[9-(2,3,4-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,3-triol
CID 172681217
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
CID 138492957
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 18410576
2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The IUPAC name of 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol (CID 154338119) is 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol.
What is the SMILES notation for 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The canonical SMILES for 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol is CCc1c(O)ccc(C2(c3ccc(O)c(CC)c3O)c3ccccc3-c3ccccc32)c1O.
What is the InChIKey of 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
The InChIKey is MCIBDXOFUWUNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4/c1-3-17-25(30)15-13-23(27(17)32)29(24-14-16-26(31)18(4-2)28(24)33)21-11-7-5-9-19(21)20-10-6-8-12-22(20)29/h5-16,30-33H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol?
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol has a molecular weight of 438.52 g/mol, XLogP of 6.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol is sourced from PubChem (CID 154338119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).