3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol

C27H22O2 — CID 160868332

IUPAC3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1ccc2c(c1-c1cccc(O)c1C)Cc1ccccc1-2
InChIInChI=1S/C27H22O2/c1-16-19(9-5-11-25(16)28)23-14-13-22-21-8-4-3-7-18(21)15-24(22)27(23)20-10-6-12-26(29)17(20)2/h3-14,28-29H,15H2,1-2H3
InChIKeySLKSPCANNDLSAL-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.62
Rot. Bonds2

About 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol

3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol (PubChem CID 160868332) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
PubChem CID160868332
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1ccc2c(c1-c1cccc(O)c1C)Cc1ccccc1-2
InChIInChI=1S/C27H22O2/c1-16-19(9-5-11-25(16)28)23-14-13-22-21-8-4-3-7-18(21)15-24(22)27(23)20-10-6-12-26(29)17(20)2/h3-14,28-29H,15H2,1-2H3
InChIKeySLKSPCANNDLSAL-UHFFFAOYSA-N
XLogP6.62
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 ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluoren-1-ol;prop-1-ene
CID 159607408
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
1,2-bis(2-ethynylphenyl)-9H-fluorene
CID 139911372
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol?
The IUPAC name of 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol (CID 160868332) is 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol.
What is the SMILES notation for 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol?
The canonical SMILES for 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol is Cc1c(O)cccc1-c1ccc2c(c1-c1cccc(O)c1C)Cc1ccccc1-2.
What is the InChIKey of 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol?
The InChIKey is SLKSPCANNDLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-16-19(9-5-11-25(16)28)23-14-13-22-21-8-4-3-7-18(21)15-24(22)27(23)20-10-6-12-26(29)17(20)2/h3-14,28-29H,15H2,1-2H3.
What are the key properties of 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol?
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol has a molecular weight of 378.47 g/mol, XLogP of 6.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol is sourced from PubChem (CID 160868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).