[1-(9H-fluoren-9-yl)-2-oxopropyl] formate

C17H14O3 — CID 56631789

IUPAC[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
SMILESCC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O3/c1-11(19)17(20-10-18)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16-17H,1H3
InChIKeyLPANAGJIJRXJLP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds4

About [1-(9H-fluoren-9-yl)-2-oxopropyl] formate

[1-(9H-fluoren-9-yl)-2-oxopropyl] formate (PubChem CID 56631789) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(9H-fluoren-9-yl)-2-oxopropyl] formate.

Molecular Properties

Compound Name[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
PubChem CID56631789
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
SMILESCC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O3/c1-11(19)17(20-10-18)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16-17H,1H3
InChIKeyLPANAGJIJRXJLP-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
CID 174060552
[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
CID 91019013
1-(9H-fluoren-9-yl)pentyl formate
CID 57002475
[1-(9H-fluoren-9-yl)-2-[(4-methoxyphenyl)methoxy]-2-oxoethyl] 3-cyano-2-formyloxypropanoate
CID 173340196
9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
CID 54093307
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
CID 90963372
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
[(3S)-7-amino-1-(9H-fluoren-9-yl)-3-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-2-oxoheptyl] formate
CID 173357658
2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid
CID 102547292
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522

Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-9-yl)-2-oxopropyl] formate?
The IUPAC name of [1-(9H-fluoren-9-yl)-2-oxopropyl] formate (CID 56631789) is [1-(9H-fluoren-9-yl)-2-oxopropyl] formate.
What is the SMILES notation for [1-(9H-fluoren-9-yl)-2-oxopropyl] formate?
The canonical SMILES for [1-(9H-fluoren-9-yl)-2-oxopropyl] formate is CC(=O)C(OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [1-(9H-fluoren-9-yl)-2-oxopropyl] formate?
The InChIKey is LPANAGJIJRXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(19)17(20-10-18)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16-17H,1H3.
What are the key properties of [1-(9H-fluoren-9-yl)-2-oxopropyl] formate?
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate has a molecular weight of 266.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-yl)-2-oxopropyl] formate is sourced from PubChem (CID 56631789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).