11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid

C18H17NO3 — CID 22252937

IUPAC11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid
SMILESCOc1c2c(cc3[nH]c4cccc(C(=O)O)c4c13)CCCC2
InChIInChI=1S/C18H17NO3/c1-22-17-11-6-3-2-5-10(11)9-14-16(17)15-12(18(20)21)7-4-8-13(15)19-14/h4,7-9,19H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyYFYLXQOSHGFJMT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.91
Rot. Bonds2

About 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid

11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid (PubChem CID 22252937) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid.

Molecular Properties

Compound Name11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid
PubChem CID22252937
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid
SMILESCOc1c2c(cc3[nH]c4cccc(C(=O)O)c4c13)CCCC2
InChIInChI=1S/C18H17NO3/c1-22-17-11-6-3-2-5-10(11)9-14-16(17)15-12(18(20)21)7-4-8-13(15)19-14/h4,7-9,19H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyYFYLXQOSHGFJMT-UHFFFAOYSA-N
XLogP3.91
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid?
The IUPAC name of 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid (CID 22252937) is 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid.
What is the SMILES notation for 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid?
The canonical SMILES for 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid is COc1c2c(cc3[nH]c4cccc(C(=O)O)c4c13)CCCC2.
What is the InChIKey of 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid?
The InChIKey is YFYLXQOSHGFJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-17-11-6-3-2-5-10(11)9-14-16(17)15-12(18(20)21)7-4-8-13(15)19-14/h4,7-9,19H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid?
11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid is sourced from PubChem (CID 22252937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).