3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol

C29H26O2 — CID 91418467

IUPAC3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
SMILESCc1ccc(C2(c3ccc(C)c(O)c3C)c3ccccc3-c3ccccc32)c(C)c1O
InChIInChI=1S/C29H26O2/c1-17-13-15-23(19(3)27(17)30)29(24-16-14-18(2)28(31)20(24)4)25-11-7-5-9-21(25)22-10-6-8-12-26(22)29/h5-16,30-31H,1-4H3
InChIKeyVRBMGMNSXLOWAI-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.69
Rot. Bonds2

About 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol

3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol (PubChem CID 91418467) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
PubChem CID91418467
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
SMILESCc1ccc(C2(c3ccc(C)c(O)c3C)c3ccccc3-c3ccccc32)c(C)c1O
InChIInChI=1S/C29H26O2/c1-17-13-15-23(19(3)27(17)30)29(24-16-14-18(2)28(31)20(24)4)25-11-7-5-9-21(25)22-10-6-8-12-26(22)29/h5-16,30-31H,1-4H3
InChIKeyVRBMGMNSXLOWAI-UHFFFAOYSA-N
XLogP6.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469
2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol
CID 118133374
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529
4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71281305
4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144864353
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 154338119
2,6-dichloro-3-[9-(2,4-dichloro-3-hydroxyphenyl)fluoren-9-yl]phenol
CID 142692075
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol?
The IUPAC name of 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol (CID 91418467) is 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol.
What is the SMILES notation for 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol?
The canonical SMILES for 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol is Cc1ccc(C2(c3ccc(C)c(O)c3C)c3ccccc3-c3ccccc32)c(C)c1O.
What is the InChIKey of 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol?
The InChIKey is VRBMGMNSXLOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c1-17-13-15-23(19(3)27(17)30)29(24-16-14-18(2)28(31)20(24)4)25-11-7-5-9-21(25)22-10-6-8-12-26(22)29/h5-16,30-31H,1-4H3.
What are the key properties of 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol?
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol has a molecular weight of 406.53 g/mol, XLogP of 6.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol is sourced from PubChem (CID 91418467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).