8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one

C25H24N2O4 — CID 148887086

IUPAC8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one
SMILESCC1(C)C2=C(C(=O)c3ccc(OC[C@H](O)CO)cc31)c1ccc(-c3ccn[nH]3)cc1C2
InChIInChI=1S/C25H24N2O4/c1-25(2)20-11-17(31-13-16(29)12-28)4-6-19(20)24(30)23-18-5-3-14(22-7-8-26-27-22)9-15(18)10-21(23)25/h3-9,11,16,28-29H,10,12-13H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyPEEMDNSOFSDALY-MRXNPFEDSA-N
MW416.48 g/mol
LogP3.29
Rot. Bonds5

About 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one

8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one (PubChem CID 148887086) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one.

Molecular Properties

Compound Name8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one
PubChem CID148887086
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one
SMILESCC1(C)C2=C(C(=O)c3ccc(OC[C@H](O)CO)cc31)c1ccc(-c3ccn[nH]3)cc1C2
InChIInChI=1S/C25H24N2O4/c1-25(2)20-11-17(31-13-16(29)12-28)4-6-19(20)24(30)23-18-5-3-14(22-7-8-26-27-22)9-15(18)10-21(23)25/h3-9,11,16,28-29H,10,12-13H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyPEEMDNSOFSDALY-MRXNPFEDSA-N
XLogP3.29
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
CID 148501866
8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 158987407
10,10-dimethyl-5-oxo-N-pyridin-3-yl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]-11H-benzo[b]fluorene-2-carboxamide
CID 146949753
8-(2,3-dihydroxypropoxy)-6,6-dimethyl-3-(1,3-thiazol-5-yl)-5H-benzo[b]carbazol-11-one
CID 66835077
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-sulfanyl-5H-benzo[b]carbazol-11-one
CID 118670145
10,10-dimethyl-5-oxo-8-(pyridin-4-ylmethoxy)-11H-benzo[b]fluorene-2-carbonitrile
CID 147262680
8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-thiophen-2-yl-5H-benzo[b]carbazol-11-one
CID 66835002
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
7-bromo-4-chloro-8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-11H-benzo[b]fluoren-5-one
CID 161338420
3-bromo-8-(2,3-dihydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 77194267
2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide
CID 146739104
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]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one?
The IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one (CID 148887086) is 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one.
What is the SMILES notation for 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one?
The canonical SMILES for 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one is CC1(C)C2=C(C(=O)c3ccc(OC[C@H](O)CO)cc31)c1ccc(-c3ccn[nH]3)cc1C2.
What is the InChIKey of 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one?
The InChIKey is PEEMDNSOFSDALY-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-25(2)20-11-17(31-13-16(29)12-28)4-6-19(20)24(30)23-18-5-3-14(22-7-8-26-27-22)9-15(18)10-21(23)25/h3-9,11,16,28-29H,10,12-13H2,1-2H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one?
8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one has a molecular weight of 416.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2,3-dihydroxypropoxy]-10,10-dimethyl-2-(1H-pyrazol-5-yl)-11H-benzo[b]fluoren-5-one is sourced from PubChem (CID 148887086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).