8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile

C24H23NO4 — CID 158987407

IUPAC8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
SMILESCc1c(C#N)ccc2c1CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C
InChIInChI=1S/C24H23NO4/c1-13-14(10-25)4-6-17-19(13)9-21-22(17)23(28)18-7-5-16(29-12-15(27)11-26)8-20(18)24(21,2)3/h4-8,15,26-27H,9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJPSVSGSUWWBNRW-OAHLLOKOSA-N
MW389.45 g/mol
LogP3.08
Rot. Bonds4

About 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile

8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile (PubChem CID 158987407) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile.

Molecular Properties

Compound Name8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
PubChem CID158987407
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
SMILESCc1c(C#N)ccc2c1CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C
InChIInChI=1S/C24H23NO4/c1-13-14(10-25)4-6-17-19(13)9-21-22(17)23(28)18-7-5-16(29-12-15(27)11-26)8-20(18)24(21,2)3/h4-8,15,26-27H,9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJPSVSGSUWWBNRW-OAHLLOKOSA-N
XLogP3.08
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile with MolForge

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Related Compounds

8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
CID 148501866
1-hydroxy-8-methoxy-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 149279161
8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one
CID 148887086
4-(aminomethyl)-8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 167193761
3-cyano-8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[h]carbazole-4-carboxylic acid
CID 66834805
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide
CID 146739104
10,10-dimethyl-5-oxo-N-pyridin-3-yl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]-11H-benzo[b]fluorene-2-carboxamide
CID 146949753
3-bromo-8-(2,3-dihydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 77194267
8-[2-(diethylamino)ethoxy]-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 149226196
10,10-dimethyl-5-oxo-8-(pyridin-4-ylmethoxy)-11H-benzo[b]fluorene-2-carbonitrile
CID 147262680
3-bromo-8-(2,3-dihydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66835040

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile (CID 158987407) is 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile.
What is the SMILES notation for 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The canonical SMILES for 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile is Cc1c(C#N)ccc2c1CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C.
What is the InChIKey of 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The InChIKey is JPSVSGSUWWBNRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23NO4/c1-13-14(10-25)4-6-17-19(13)9-21-22(17)23(28)18-7-5-16(29-12-15(27)11-26)8-20(18)24(21,2)3/h4-8,15,26-27H,9,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile has a molecular weight of 389.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile is sourced from PubChem (CID 158987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).