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

6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155194845
13,14,15-trimethoxy-10-[(4-methoxyphenyl)methyl]-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
CID 10993680
3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
CID 70055125
7-hydrazinyl-2-[(4-methoxyphenyl)methyl]-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
CID 168966701
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
1,3-bis[(4-fluorophenyl)methyl]perimidin-2-one
CID 1326394
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 3952663
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
(3Z)-1-benzyl-3-[(4-methoxyphenyl)-phenylmethylidene]indol-2-one
CID 101359125
1-[(4-methoxyphenyl)methyl]-6-prop-2-ynoxybenzo[cd]indol-2-one
CID 155195332

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).