1,2,3,10b-tetrahydrofluoranthene-1-carboxylate

C17H13O2- — CID 19738613

IUPAC1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
SMILESO=C([O-])C1CCc2cccc3c2C1c1ccccc1-3
InChIInChI=1S/C17H14O2/c18-17(19)14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-7,14,16H,8-9H2,(H,18,19)/p-1
InChIKeyRJIPQKDZDJRYGY-UHFFFAOYSA-M
MW249.29 g/mol
LogP2.11
Rot. Bonds1

About 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate

1,2,3,10b-tetrahydrofluoranthene-1-carboxylate (PubChem CID 19738613) has the molecular formula C17H13O2- and a molecular weight of 249.29 g/mol. Its IUPAC name is 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate.

Molecular Properties

Compound Name1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
PubChem CID19738613
Molecular FormulaC17H13O2-
Molecular Weight249.29 g/mol
Exact Mass249.09
IUPAC Name1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
SMILESO=C([O-])C1CCc2cccc3c2C1c1ccccc1-3
InChIInChI=1S/C17H14O2/c18-17(19)14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-7,14,16H,8-9H2,(H,18,19)/p-1
InChIKeyRJIPQKDZDJRYGY-UHFFFAOYSA-M
XLogP2.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984654
(1S,10bS)-3-oxo-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 97033627
2,10b-dihydro-1H-aceanthrylen-6-one
CID 176639548
(1R,3E,10bR)-3-hydroxyimino-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984661
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
methyl (1R,3R,10bR)-3-hydroxy-1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
CID 124845890
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
(2R)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxylate
CID 6953894
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541

Frequently Asked Questions

What is the IUPAC name of 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate?
The IUPAC name of 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate (CID 19738613) is 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate.
What is the SMILES notation for 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate?
The canonical SMILES for 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate is O=C([O-])C1CCc2cccc3c2C1c1ccccc1-3.
What is the InChIKey of 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate?
The InChIKey is RJIPQKDZDJRYGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14O2/c18-17(19)14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-7,14,16H,8-9H2,(H,18,19)/p-1.
What are the key properties of 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate?
1,2,3,10b-tetrahydrofluoranthene-1-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,10b-tetrahydrofluoranthene-1-carboxylate is sourced from PubChem (CID 19738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).