3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one

C19H15NO3 — CID 155195092

IUPAC3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3c(O)ccc4cccc2c34)cc1
InChIInChI=1S/C19H15NO3/c1-23-14-8-5-12(6-9-14)11-20-15-4-2-3-13-7-10-16(21)18(17(13)15)19(20)22/h2-10,21H,11H2,1H3
InChIKeyBXWGIYGAQSUBRH-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.71
Rot. Bonds3

About 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one

3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one (PubChem CID 155195092) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
PubChem CID155195092
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
SMILESCOc1ccc(CN2C(=O)c3c(O)ccc4cccc2c34)cc1
InChIInChI=1S/C19H15NO3/c1-23-14-8-5-12(6-9-14)11-20-15-4-2-3-13-7-10-16(21)18(17(13)15)19(20)22/h2-10,21H,11H2,1H3
InChIKeyBXWGIYGAQSUBRH-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5329914
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CID 131002
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CID 21680139
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CID 77272
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CID 52942615
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CID 52944379
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CID 52946835
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CID 52948256
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CID 777030
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CID 808688
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CID 2634576
CID 2634576

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one (CID 155195092) is 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one is COc1ccc(CN2C(=O)c3c(O)ccc4cccc2c34)cc1.
What is the InChIKey of 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is BXWGIYGAQSUBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-23-14-8-5-12(6-9-14)11-20-15-4-2-3-13-7-10-16(21)18(17(13)15)19(20)22/h2-10,21H,11H2,1H3.
What are the key properties of 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one?
3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 305.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 155195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).