4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol

C27H22O2 — CID 11014345

IUPAC4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
InChIKeyNUDSREQIJYWLRA-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.08
Rot. Bonds2

About 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol

4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol (PubChem CID 11014345) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
PubChem CID11014345
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
InChIKeyNUDSREQIJYWLRA-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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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol (CID 11014345) is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol is Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol?
The InChIKey is NUDSREQIJYWLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3.
What are the key properties of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol?
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol 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-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol is sourced from PubChem (CID 11014345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).