4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol

C27H22O2 — CID 71281305

IUPAC4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)c1C
InChIInChI=1S/C27H22O2/c1-17-18(2)26(29)16-15-23(17)27(19-11-13-20(28)14-12-19)24-9-5-3-7-21(24)22-8-4-6-10-25(22)27/h3-16,28-29H,1-2H3
InChIKeyQHTBXPFDOVEHSO-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.08
Rot. Bonds2

About 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol

4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol (PubChem CID 71281305) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol
PubChem CID71281305
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)c1C
InChIInChI=1S/C27H22O2/c1-17-18(2)26(29)16-15-23(17)27(19-11-13-20(28)14-12-19)24-9-5-3-7-21(24)22-8-4-6-10-25(22)27/h3-16,28-29H,1-2H3
InChIKeyQHTBXPFDOVEHSO-UHFFFAOYSA-N
XLogP6.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 126487265
3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
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
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
9-(4-amino-3-methylphenyl)-9-(4-hydroxy-3-methylphenyl)fluoren-2-ol
CID 144931267
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol?
The IUPAC name of 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol (CID 71281305) is 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol.
What is the SMILES notation for 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol?
The canonical SMILES for 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol is Cc1c(O)ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)c1C.
What is the InChIKey of 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol?
The InChIKey is QHTBXPFDOVEHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-17-18(2)26(29)16-15-23(17)27(19-11-13-20(28)14-12-19)24-9-5-3-7-21(24)22-8-4-6-10-25(22)27/h3-16,28-29H,1-2H3.
What are the key properties of 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol?
4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol has a molecular weight of 378.47 g/mol, XLogP of 6.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol is sourced from PubChem (CID 71281305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).