5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid

C17H15ClNO3P — CID 143230675

IUPAC5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
SMILESCOP(c1cccc(C)c1)c1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClNO3P/c1-10-4-3-5-12(8-10)23(22-2)16-13-9-11(18)6-7-14(13)19-15(16)17(20)21/h3-9,19H,1-2H3,(H,20,21)
InChIKeyAAQZXNCYZYFNAI-UHFFFAOYSA-N
MW347.74 g/mol
LogP3.82
Rot. Bonds4

About 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid

5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid (PubChem CID 143230675) has the molecular formula C17H15ClNO3P and a molecular weight of 347.74 g/mol. Its IUPAC name is 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
PubChem CID143230675
Molecular FormulaC17H15ClNO3P
Molecular Weight347.74 g/mol
Exact Mass347.05
IUPAC Name5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
SMILESCOP(c1cccc(C)c1)c1c(C(=O)O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClNO3P/c1-10-4-3-5-12(8-10)23(22-2)16-13-9-11(18)6-7-14(13)19-15(16)17(20)21/h3-9,19H,1-2H3,(H,20,21)
InChIKeyAAQZXNCYZYFNAI-UHFFFAOYSA-N
XLogP3.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230568
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230453
5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 143230600
(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
CID 143275096
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid
CID 11545071
methyl 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate
CID 11143341
5-chloro-3-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431042
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
CID 142861988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid (CID 143230675) is 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid is COP(c1cccc(C)c1)c1c(C(=O)O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid?
The InChIKey is AAQZXNCYZYFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClNO3P/c1-10-4-3-5-12(8-10)23(22-2)16-13-9-11(18)6-7-14(13)19-15(16)17(20)21/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid?
5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid has a molecular weight of 347.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 143230675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).