1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one

C15H15NO3 — CID 3082757

IUPAC1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one
SMILESCOC1=C(C)C(C)(O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H15NO3/c1-8-13(19-3)12(17)11-9-6-4-5-7-10(9)16-14(11)15(8,2)18/h4-7,16,18H,1-3H3
InChIKeyXHIVRAVUXVHJKQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.49
Rot. Bonds1

About 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one

1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one (PubChem CID 3082757) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one
PubChem CID3082757
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one
SMILESCOC1=C(C)C(C)(O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H15NO3/c1-8-13(19-3)12(17)11-9-6-4-5-7-10(9)16-14(11)15(8,2)18/h4-7,16,18H,1-3H3
InChIKeyXHIVRAVUXVHJKQ-UHFFFAOYSA-N
XLogP2.49
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one?
The IUPAC name of 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one (CID 3082757) is 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one.
What is the SMILES notation for 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one?
The canonical SMILES for 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one is COC1=C(C)C(C)(O)c2[nH]c3ccccc3c2C1=O.
What is the InChIKey of 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one?
The InChIKey is XHIVRAVUXVHJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-8-13(19-3)12(17)11-9-6-4-5-7-10(9)16-14(11)15(8,2)18/h4-7,16,18H,1-3H3.
What are the key properties of 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one?
1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-1,2-dimethyl-9H-carbazol-4-one is sourced from PubChem (CID 3082757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).