9H-fluoren-9-yl 4-(hydroxymethyl)benzoate

C21H16O3 — CID 8524888

IUPAC9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1ccc(CO)cc1
InChIInChI=1S/C21H16O3/c22-13-14-9-11-15(12-10-14)21(23)24-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20,22H,13H2
InChIKeyHEISYLCLPDCHFQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.11
Rot. Bonds3

About 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate

9H-fluoren-9-yl 4-(hydroxymethyl)benzoate (PubChem CID 8524888) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
PubChem CID8524888
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1ccc(CO)cc1
InChIInChI=1S/C21H16O3/c22-13-14-9-11-15(12-10-14)21(23)24-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20,22H,13H2
InChIKeyHEISYLCLPDCHFQ-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate 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

9H-fluoren-9-yl furan-2-carboxylate
CID 7814199
9H-fluoren-9-yl 4-amino-3-methylbenzoate
CID 91682868
chloro 4-(hydroxymethyl)benzoate
CID 174742184
9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
CID 7908802
[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(hydroxymethyl)benzoate
CID 58151002
9H-fluoren-9-yl 2-phenoxyacetate
CID 7980307
9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
CID 7648640
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
CID 2538214
9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
CID 7786361
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate?
The IUPAC name of 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate (CID 8524888) is 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate.
What is the SMILES notation for 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate?
The canonical SMILES for 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate is O=C(OC1c2ccccc2-c2ccccc21)c1ccc(CO)cc1.
What is the InChIKey of 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate?
The InChIKey is HEISYLCLPDCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-13-14-9-11-15(12-10-14)21(23)24-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20,22H,13H2.
What are the key properties of 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate?
9H-fluoren-9-yl 4-(hydroxymethyl)benzoate has a molecular weight of 316.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 8524888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).