6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one

C20H17NO3 — CID 155194845

IUPAC6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3cccc4c(CO)ccc2c34)cc1
InChIInChI=1S/C20H17NO3/c1-24-15-8-5-13(6-9-15)11-21-18-10-7-14(12-22)16-3-2-4-17(19(16)18)20(21)23/h2-10,22H,11-12H2,1H3
InChIKeyAHWRCLQBPGBWNO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.50
Rot. Bonds4

About 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one

6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one (PubChem CID 155194845) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
PubChem CID155194845
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3cccc4c(CO)ccc2c34)cc1
InChIInChI=1S/C20H17NO3/c1-24-15-8-5-13(6-9-15)11-21-18-10-7-14(12-22)16-3-2-4-17(19(16)18)20(21)23/h2-10,22H,11-12H2,1H3
InChIKeyAHWRCLQBPGBWNO-UHFFFAOYSA-N
XLogP3.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-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

1-[(4-methoxyphenyl)methyl]-6-prop-2-ynoxybenzo[cd]indol-2-one
CID 155195332
6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155194395
5-cyclopropyl-1-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]pyrazole-4-carboxylic acid
CID 168966645
9-chloro-2-[(4-methoxyphenyl)methyl]-2,10,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
CID 163259541
6-[[3-fluoro-4-[[4-[2-fluoro-4-(methyliminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]methyl]-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155207587
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]-1,4-diazepan-1-yl]butanenitrile
CID 10456648
3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155195092
N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide
CID 166501803
6,14,15-trimethoxy-10-[(4-methoxyphenyl)methyl]-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 10741234
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
4-[6-(4-methoxyphenyl)-2-oxobenzo[cd]indol-1-yl]butanenitrile
CID 67819482

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one (CID 155194845) is 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one is COc1ccc(CN2C(=O)c3cccc4c(CO)ccc2c34)cc1.
What is the InChIKey of 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is AHWRCLQBPGBWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-15-8-5-13(6-9-15)11-21-18-10-7-14(12-22)16-3-2-4-17(19(16)18)20(21)23/h2-10,22H,11-12H2,1H3.
What are the key properties of 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 155194845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).