2-methyl-9H-carbazole-1,5,6,7-tetrol

C13H11NO4 — CID 171715135

IUPAC2-methyl-9H-carbazole-1,5,6,7-tetrol
SMILESCc1ccc2c([nH]c3cc(O)c(O)c(O)c32)c1O
InChIInChI=1S/C13H11NO4/c1-5-2-3-6-9-7(14-10(6)11(5)16)4-8(15)12(17)13(9)18/h2-4,14-18H,1H3
InChIKeyRZPYCDCWOFKVIA-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.45
Rot. Bonds

About 2-methyl-9H-carbazole-1,5,6,7-tetrol

2-methyl-9H-carbazole-1,5,6,7-tetrol (PubChem CID 171715135) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-methyl-9H-carbazole-1,5,6,7-tetrol.

Molecular Properties

Compound Name2-methyl-9H-carbazole-1,5,6,7-tetrol
PubChem CID171715135
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-methyl-9H-carbazole-1,5,6,7-tetrol
SMILESCc1ccc2c([nH]c3cc(O)c(O)c(O)c32)c1O
InChIInChI=1S/C13H11NO4/c1-5-2-3-6-9-7(14-10(6)11(5)16)4-8(15)12(17)13(9)18/h2-4,14-18H,1H3
InChIKeyRZPYCDCWOFKVIA-UHFFFAOYSA-N
XLogP2.45
TPSA96.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-9H-carbazole-1,6-diol
CID 171715126
carbanide;ethane;2-methyl-9H-carbazol-1-ol;yttrium
CID 161379939
5,7-dimethyl-9H-carbazol-1-ol
CID 171715156
7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472349
3-methyl-9H-carbazol-4-ol
CID 11116991
3,6,8-trimethylpyren-1-ol
CID 154487222
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one
CID 85468772
3,4-dimethyl-9H-carbazole-1,8-diol
CID 171715160
9H-carbazole-1,3,4,8-tetrol
CID 171715164
6-methylnaphthalene-1,2,3-triol
CID 22497955
6-methyl-11H-benzo[a]carbazol-3-ol
CID 11311198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9H-carbazole-1,5,6,7-tetrol?
The IUPAC name of 2-methyl-9H-carbazole-1,5,6,7-tetrol (CID 171715135) is 2-methyl-9H-carbazole-1,5,6,7-tetrol.
What is the SMILES notation for 2-methyl-9H-carbazole-1,5,6,7-tetrol?
The canonical SMILES for 2-methyl-9H-carbazole-1,5,6,7-tetrol is Cc1ccc2c([nH]c3cc(O)c(O)c(O)c32)c1O.
What is the InChIKey of 2-methyl-9H-carbazole-1,5,6,7-tetrol?
The InChIKey is RZPYCDCWOFKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-5-2-3-6-9-7(14-10(6)11(5)16)4-8(15)12(17)13(9)18/h2-4,14-18H,1H3.
What are the key properties of 2-methyl-9H-carbazole-1,5,6,7-tetrol?
2-methyl-9H-carbazole-1,5,6,7-tetrol has a molecular weight of 245.23 g/mol, XLogP of 2.45, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9H-carbazole-1,5,6,7-tetrol is sourced from PubChem (CID 171715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).