9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one

C22H19NO3 — CID 118723043

IUPAC9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one
SMILESCOc1ccc2c(c1)C(c1c[nH]c3ccccc13)C1=C(CCCC1=O)O2
InChIInChI=1S/C22H19NO3/c1-25-13-9-10-19-15(11-13)21(22-18(24)7-4-8-20(22)26-19)16-12-23-17-6-3-2-5-14(16)17/h2-3,5-6,9-12,21,23H,4,7-8H2,1H3
InChIKeyMTMRDYOHQCRNAI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.71
Rot. Bonds2

About 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one

9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one (PubChem CID 118723043) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one.

Molecular Properties

Compound Name9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one
PubChem CID118723043
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one
SMILESCOc1ccc2c(c1)C(c1c[nH]c3ccccc13)C1=C(CCCC1=O)O2
InChIInChI=1S/C22H19NO3/c1-25-13-9-10-19-15(11-13)21(22-18(24)7-4-8-20(22)26-19)16-12-23-17-6-3-2-5-14(16)17/h2-3,5-6,9-12,21,23H,4,7-8H2,1H3
InChIKeyMTMRDYOHQCRNAI-UHFFFAOYSA-N
XLogP4.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Benzyloxy)tryptamine
CID 89576
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
N-Acetyl-5-benzyloxytryptamine
CID 563605
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
5-Benzyloxyindole-3-acetic acid
CID 96340
Maleimide derivative, 10
CID 12115602
3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino}chromane-5-carboxamide
CID 44589076
N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 56653119
2-(1H-indol-6-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 141533898
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 858406

Frequently Asked Questions

What is the IUPAC name of 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one?
The IUPAC name of 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one (CID 118723043) is 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one.
What is the SMILES notation for 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one?
The canonical SMILES for 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one is COc1ccc2c(c1)C(c1c[nH]c3ccccc13)C1=C(CCCC1=O)O2.
What is the InChIKey of 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one?
The InChIKey is MTMRDYOHQCRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-13-9-10-19-15(11-13)21(22-18(24)7-4-8-20(22)26-19)16-12-23-17-6-3-2-5-14(16)17/h2-3,5-6,9-12,21,23H,4,7-8H2,1H3.
What are the key properties of 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one?
9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one has a molecular weight of 345.40 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indol-3-yl)-7-methoxy-2,3,4,9-tetrahydroxanthen-1-one is sourced from PubChem (CID 118723043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).