[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate

C28H22O3 — CID 88860019

IUPAC[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate
SMILESCc1ccc(C2(c3ccc(C)c(OC=O)c3)c3ccccc3-c3ccccc32)cc1O
InChIInChI=1S/C28H22O3/c1-18-11-13-20(15-26(18)30)28(21-14-12-19(2)27(16-21)31-17-29)24-9-5-3-7-22(24)23-8-4-6-10-25(23)28/h3-17,30H,1-2H3
InChIKeyCWUGLDWRKPLVSJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.91
Rot. Bonds4

About [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate

[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate (PubChem CID 88860019) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate.

Molecular Properties

Compound Name[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate
PubChem CID88860019
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate
SMILESCc1ccc(C2(c3ccc(C)c(OC=O)c3)c3ccccc3-c3ccccc32)cc1O
InChIInChI=1S/C28H22O3/c1-18-11-13-20(15-26(18)30)28(21-14-12-19(2)27(16-21)31-17-29)24-9-5-3-7-22(24)23-8-4-6-10-25(23)28/h3-17,30H,1-2H3
InChIKeyCWUGLDWRKPLVSJ-UHFFFAOYSA-N
XLogP5.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate?
The IUPAC name of [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate (CID 88860019) is [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate.
What is the SMILES notation for [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate?
The canonical SMILES for [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate is Cc1ccc(C2(c3ccc(C)c(OC=O)c3)c3ccccc3-c3ccccc32)cc1O.
What is the InChIKey of [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate?
The InChIKey is CWUGLDWRKPLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-18-11-13-20(15-26(18)30)28(21-14-12-19(2)27(16-21)31-17-29)24-9-5-3-7-22(24)23-8-4-6-10-25(23)28/h3-17,30H,1-2H3.
What are the key properties of [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate?
[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate has a molecular weight of 406.48 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate is sourced from PubChem (CID 88860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).