[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C23H18O4 — CID 7502110

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C23H18O4/c24-13-15-5-7-16(8-6-15)23(26)27-14-22(25)19-10-9-18-11-17-3-1-2-4-20(17)21(18)12-19/h1-10,12,24H,11,13-14H2
InChIKeyFPZGJIVENBBGLW-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.79
Rot. Bonds5

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 7502110) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID7502110
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C23H18O4/c24-13-15-5-7-16(8-6-15)23(26)27-14-22(25)19-10-9-18-11-17-3-1-2-4-20(17)21(18)12-19/h1-10,12,24H,11,13-14H2
InChIKeyFPZGJIVENBBGLW-UHFFFAOYSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2095942
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 7502110) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate is O=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is FPZGJIVENBBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c24-13-15-5-7-16(8-6-15)23(26)27-14-22(25)19-10-9-18-11-17-3-1-2-4-20(17)21(18)12-19/h1-10,12,24H,11,13-14H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 358.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 7502110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).