3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one

C22H23NO4 — CID 146416906

IUPAC3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCn1c2c(c3ccc(O)cc31)C(=O)c1ccc(OCCCO)cc1C2(C)C
InChIInChI=1S/C22H23NO4/c1-22(2)17-12-14(27-10-4-9-24)6-8-15(17)20(26)19-16-7-5-13(25)11-18(16)23(3)21(19)22/h5-8,11-12,24-25H,4,9-10H2,1-3H3
InChIKeyURSYZUPOYXPGPP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.52
Rot. Bonds4

About 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one

3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one (PubChem CID 146416906) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one
PubChem CID146416906
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCn1c2c(c3ccc(O)cc31)C(=O)c1ccc(OCCCO)cc1C2(C)C
InChIInChI=1S/C22H23NO4/c1-22(2)17-12-14(27-10-4-9-24)6-8-15(17)20(26)19-16-7-5-13(25)11-18(16)23(3)21(19)22/h5-8,11-12,24-25H,4,9-10H2,1-3H3
InChIKeyURSYZUPOYXPGPP-UHFFFAOYSA-N
XLogP3.52
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-8-(2,3-dihydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66835040
8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66835268
8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one
CID 66834124
3-bromo-9-[(2R)-2,3-dihydroxypropoxy]-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66833966
8-[(2S)-2-hydroxy-2-(hydroxymethoxy)ethoxy]-3-(3-hydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 167193030
4-(3-bromo-5,6,6-trimethyl-11-oxobenzo[b]carbazol-8-yl)oxypiperidine-1-carboxylic acid
CID 118658811
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
[8-(3-hydroxypropoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl] N-phenylcarbamate
CID 167193025
3-(4-methoxybutoxy)-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]naphtho[3,2-b][1]benzofuran-11-one
CID 66835200
8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835239
3-amino-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]naphtho[3,2-b][1]benzofuran-11-one
CID 70194668
3-iodo-6,6-dimethyl-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 67150163

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one?
The IUPAC name of 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one (CID 146416906) is 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one.
What is the SMILES notation for 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one?
The canonical SMILES for 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one is Cn1c2c(c3ccc(O)cc31)C(=O)c1ccc(OCCCO)cc1C2(C)C.
What is the InChIKey of 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one?
The InChIKey is URSYZUPOYXPGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2)17-12-14(27-10-4-9-24)6-8-15(17)20(26)19-16-7-5-13(25)11-18(16)23(3)21(19)22/h5-8,11-12,24-25H,4,9-10H2,1-3H3.
What are the key properties of 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one?
3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one has a molecular weight of 365.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-(3-hydroxypropoxy)-5,6,6-trimethylbenzo[b]carbazol-11-one is sourced from PubChem (CID 146416906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).