2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one

C16H11NO4 — CID 57381338

IUPAC2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one
SMILESCOc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12
InChIInChI=1S/C16H11NO4/c1-20-12-4-2-3-10-14(12)13-9-7-8(18)5-6-11(9)21-16(19)15(13)17-10/h2-7,17-18H,1H3
InChIKeyJAODCGWWLWBPAI-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.14
Rot. Bonds1

About 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one

2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one (PubChem CID 57381338) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one.

Molecular Properties

Compound Name2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one
PubChem CID57381338
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one
SMILESCOc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12
InChIInChI=1S/C16H11NO4/c1-20-12-4-2-3-10-14(12)13-9-7-8(18)5-6-11(9)21-16(19)15(13)17-10/h2-7,17-18H,1H3
InChIKeyJAODCGWWLWBPAI-UHFFFAOYSA-N
XLogP3.14
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
7-hydroxy-1,2-dimethoxyxanthen-9-one
CID 86062550
1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
7-hydroxy-1,2,3-trimethoxyxanthen-9-one
CID 5320290
3,4,5-trimethoxychromen-2-one
CID 19930053
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one
CID 102496787
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
CID 171935988
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
1,8-dihydroxy-4-methoxy-10H-acridin-9-one
CID 46856149

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one?
The IUPAC name of 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one (CID 57381338) is 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one.
What is the SMILES notation for 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one?
The canonical SMILES for 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one is COc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12.
What is the InChIKey of 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one?
The InChIKey is JAODCGWWLWBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c1-20-12-4-2-3-10-14(12)13-9-7-8(18)5-6-11(9)21-16(19)15(13)17-10/h2-7,17-18H,1H3.
What are the key properties of 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one?
2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one has a molecular weight of 281.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one is sourced from PubChem (CID 57381338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).