[(1R)-1-(9H-fluoren-9-yl)ethyl] formate

C16H14O2 — CID 174060552

IUPAC[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
SMILESC[C@@H](OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-11(18-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-11,16H,1H3/t11-/m1/s1
InChIKeyIXSHQIDEMKAATG-LLVKDONJSA-N
MW238.29 g/mol
LogP3.36
Rot. Bonds3

About [(1R)-1-(9H-fluoren-9-yl)ethyl] formate

[(1R)-1-(9H-fluoren-9-yl)ethyl] formate (PubChem CID 174060552) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(1R)-1-(9H-fluoren-9-yl)ethyl] formate.

Molecular Properties

Compound Name[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
PubChem CID174060552
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
SMILESC[C@@H](OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-11(18-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-11,16H,1H3/t11-/m1/s1
InChIKeyIXSHQIDEMKAATG-LLVKDONJSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
CID 91019013
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
CID 56631789
1-(9H-fluoren-9-yl)pentyl formate
CID 57002475
9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene
CID 18976944
9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
CID 157296228
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
9H-fluorene-9-carbaldehyde
CID 11074281
[(1R)-1-phenylethyl] formate
CID 76963066
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
CID 54093307
[4-(9H-fluoren-9-yl)-2-phenyl-4-sulfanylbutyl] formate
CID 164783448
(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
CID 71654615

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(9H-fluoren-9-yl)ethyl] formate?
The IUPAC name of [(1R)-1-(9H-fluoren-9-yl)ethyl] formate (CID 174060552) is [(1R)-1-(9H-fluoren-9-yl)ethyl] formate.
What is the SMILES notation for [(1R)-1-(9H-fluoren-9-yl)ethyl] formate?
The canonical SMILES for [(1R)-1-(9H-fluoren-9-yl)ethyl] formate is C[C@@H](OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [(1R)-1-(9H-fluoren-9-yl)ethyl] formate?
The InChIKey is IXSHQIDEMKAATG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14O2/c1-11(18-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-11,16H,1H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(9H-fluoren-9-yl)ethyl] formate?
[(1R)-1-(9H-fluoren-9-yl)ethyl] formate has a molecular weight of 238.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(9H-fluoren-9-yl)ethyl] formate is sourced from PubChem (CID 174060552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).