[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

C25H22O4 — CID 2438123

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C25H22O4/c1-17-6-10-21(11-7-17)28-13-12-25(27)29-16-24(26)20-9-8-19-14-18-4-2-3-5-22(18)23(19)15-20/h2-11,15H,12-14,16H2,1H3
InChIKeyKRSHRWQUVBGTBX-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.76
Rot. Bonds7

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 2438123) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
PubChem CID2438123
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C25H22O4/c1-17-6-10-21(11-7-17)28-13-12-25(27)29-16-24(26)20-9-8-19-14-18-4-2-3-5-22(18)23(19)15-20/h2-11,15H,12-14,16H2,1H3
InChIKeyKRSHRWQUVBGTBX-UHFFFAOYSA-N
XLogP4.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate with MolForge

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855454
[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] 3-cyanobenzoate
CID 29183065
[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] 3-methoxy-4-propoxybenzoate
CID 2095942
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 4844075
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[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

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (CID 2438123) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is KRSHRWQUVBGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-17-6-10-21(11-7-17)28-13-12-25(27)29-16-24(26)20-9-8-19-14-18-4-2-3-5-22(18)23(19)15-20/h2-11,15H,12-14,16H2,1H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 386.45 g/mol, XLogP of 4.76, 7 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] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 2438123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).