6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid

C18H16ClNO4 — CID 71765798

IUPAC6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid
SMILESCOCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChIInChI=1S/C18H16ClNO4/c1-23-6-7-24-12-4-2-11(3-5-12)13-8-14-15(18(21)22)10-20-17(14)9-16(13)19/h2-5,8-10,20H,6-7H2,1H3,(H,21,22)
InChIKeyMGVAKCXUPMDXHO-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.21
Rot. Bonds6

About 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71765798) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid
PubChem CID71765798
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid
SMILESCOCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChIInChI=1S/C18H16ClNO4/c1-23-6-7-24-12-4-2-11(3-5-12)13-8-14-15(18(21)22)10-20-17(14)9-16(13)19/h2-5,8-10,20H,6-7H2,1H3,(H,21,22)
InChIKeyMGVAKCXUPMDXHO-UHFFFAOYSA-N
XLogP4.21
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-[4-(2-piperazin-1-ylethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 86698685
6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
6-chloro-5-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 123853411
6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid
CID 86698669
5-[4-[[1-[amino(ethyl)amino]azetidin-3-yl]methoxy]phenyl]-6-chloro-1H-indole-3-carboxylic acid
CID 151017511
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
6-chloro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid
CID 71766241
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate
CID 86698700
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid (CID 71765798) is 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid is COCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is MGVAKCXUPMDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-23-6-7-24-12-4-2-11(3-5-12)13-8-14-15(18(21)22)10-20-17(14)9-16(13)19/h2-5,8-10,20H,6-7H2,1H3,(H,21,22).
What are the key properties of 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 345.78 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).