[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

C27H26O4 — CID 7855454

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C27H26O4/c1-27(2,3)21-10-12-22(13-11-21)30-17-26(29)31-16-25(28)20-9-8-19-14-18-6-4-5-7-23(18)24(19)15-20/h4-13,15H,14,16-17H2,1-3H3
InChIKeyUPMYFCITHDQNOS-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.36
Rot. Bonds6

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 7855454) has the molecular formula C27H26O4 and a molecular weight of 414.50 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
PubChem CID7855454
Molecular FormulaC27H26O4
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C27H26O4/c1-27(2,3)21-10-12-22(13-11-21)30-17-26(29)31-16-25(28)20-9-8-19-14-18-6-4-5-7-23(18)24(19)15-20/h4-13,15H,14,16-17H2,1-3H3
InChIKeyUPMYFCITHDQNOS-UHFFFAOYSA-N
XLogP5.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2438123
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 29155280
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 2394479
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632864
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632115

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (CID 7855454) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is CC(C)(C)c1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is UPMYFCITHDQNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O4/c1-27(2,3)21-10-12-22(13-11-21)30-17-26(29)31-16-25(28)20-9-8-19-14-18-6-4-5-7-23(18)24(19)15-20/h4-13,15H,14,16-17H2,1-3H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 414.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 7855454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).