benzyl 9H-fluorene-1-carboxylate

C21H16O2 — CID 148546959

IUPACbenzyl 9H-fluorene-1-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H16O2/c22-21(23-14-15-7-2-1-3-8-15)19-12-6-11-18-17-10-5-4-9-16(17)13-20(18)19/h1-12H,13-14H2
InChIKeyCGFCIISFOLJFJV-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.61
Rot. Bonds3

About benzyl 9H-fluorene-1-carboxylate

benzyl 9H-fluorene-1-carboxylate (PubChem CID 148546959) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is benzyl 9H-fluorene-1-carboxylate.

Molecular Properties

Compound Namebenzyl 9H-fluorene-1-carboxylate
PubChem CID148546959
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Namebenzyl 9H-fluorene-1-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H16O2/c22-21(23-14-15-7-2-1-3-8-15)19-12-6-11-18-17-10-5-4-9-16(17)13-20(18)19/h1-12H,13-14H2
InChIKeyCGFCIISFOLJFJV-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluorene-1-carboxamide
CID 18474131
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
benzyl benzoate
CID 2345
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
N-(4-bromobutyl)-9H-fluorene-1-carboxamide
CID 121318737

Frequently Asked Questions

What is the IUPAC name of benzyl 9H-fluorene-1-carboxylate?
The IUPAC name of benzyl 9H-fluorene-1-carboxylate (CID 148546959) is benzyl 9H-fluorene-1-carboxylate.
What is the SMILES notation for benzyl 9H-fluorene-1-carboxylate?
The canonical SMILES for benzyl 9H-fluorene-1-carboxylate is O=C(OCc1ccccc1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of benzyl 9H-fluorene-1-carboxylate?
The InChIKey is CGFCIISFOLJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(23-14-15-7-2-1-3-8-15)19-12-6-11-18-17-10-5-4-9-16(17)13-20(18)19/h1-12H,13-14H2.
What are the key properties of benzyl 9H-fluorene-1-carboxylate?
benzyl 9H-fluorene-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 9H-fluorene-1-carboxylate is sourced from PubChem (CID 148546959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).