9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate

C26H26O3 — CID 7855971

IUPAC9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H26O3/c1-26(2,3)18-12-14-19(15-13-18)28-17-16-24(27)29-25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25/h4-15,25H,16-17H2,1-3H3
InChIKeyKKHCUIXGLCORIS-UHFFFAOYSA-N
MW386.49 g/mol
LogP6.07
Rot. Bonds5

About 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate

9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate (PubChem CID 7855971) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate
PubChem CID7855971
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H26O3/c1-26(2,3)18-12-14-19(15-13-18)28-17-16-24(27)29-25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25/h4-15,25H,16-17H2,1-3H3
InChIKeyKKHCUIXGLCORIS-UHFFFAOYSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
CID 7856628
9H-fluoren-9-yl 2-phenoxyacetate
CID 7980307
2-[4-[4-(9H-fluoren-9-yl)butoxy]phenyl]-2-methoxypropanoic acid
CID 57110018
4-(4-tert-butylphenoxy)butanamide
CID 82041345
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
9H-fluoren-9-yl 2-(2-methoxyphenyl)acetate
CID 75412915
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate?
The IUPAC name of 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate (CID 7855971) is 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate is CC(C)(C)c1ccc(OCCC(=O)OC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate?
The InChIKey is KKHCUIXGLCORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-26(2,3)18-12-14-19(15-13-18)28-17-16-24(27)29-25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25/h4-15,25H,16-17H2,1-3H3.
What are the key properties of 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate?
9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate has a molecular weight of 386.49 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 7855971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).