9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine

C16H14I2O3 — CID 90763939

IUPAC9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
SMILESII.O=C(CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3.I2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,15,17H,9-10H2;
InChIKeyAETJSTKDOXTHMA-UHFFFAOYSA-N
MW508.09 g/mol
LogP4.11
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine

9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine (PubChem CID 90763939) has the molecular formula C16H14I2O3 and a molecular weight of 508.09 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
PubChem CID90763939
Molecular FormulaC16H14I2O3
Molecular Weight508.09 g/mol
Exact Mass507.90
IUPAC Name9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
SMILESII.O=C(CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3.I2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,15,17H,9-10H2;
InChIKeyAETJSTKDOXTHMA-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.09
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
CID 23573686
CID 23573686
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine (CID 90763939) is 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine is II.O=C(CO)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine?
The InChIKey is AETJSTKDOXTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.I2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,15,17H,9-10H2;.
What are the key properties of 9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine?
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine has a molecular weight of 508.09 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-ylmethyl 2-hydroxyacetate;molecular iodine is sourced from PubChem (CID 90763939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).