2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid

C16H12ClNO3 — CID 117173534

IUPAC2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(COc3ccccc3Cl)cc12
InChIInChI=1S/C16H12ClNO3/c17-13-5-1-2-7-15(13)21-9-10-8-12-11(16(19)20)4-3-6-14(12)18-10/h1-8,18H,9H2,(H,19,20)
InChIKeyQUJGDMLIIJXNRK-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.10
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid

2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid (PubChem CID 117173534) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
PubChem CID117173534
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(COc3ccccc3Cl)cc12
InChIInChI=1S/C16H12ClNO3/c17-13-5-1-2-7-15(13)21-9-10-8-12-11(16(19)20)4-3-6-14(12)18-10/h1-8,18H,9H2,(H,19,20)
InChIKeyQUJGDMLIIJXNRK-UHFFFAOYSA-N
XLogP4.10
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 54377874
CID 54377874
2-[(3-fluorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173543
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-chloro-2-(2-methoxyphenoxy)benzoic acid
CID 113434883

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid (CID 117173534) is 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(COc3ccccc3Cl)cc12.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid?
The InChIKey is QUJGDMLIIJXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c17-13-5-1-2-7-15(13)21-9-10-8-12-11(16(19)20)4-3-6-14(12)18-10/h1-8,18H,9H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid?
2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid is sourced from PubChem (CID 117173534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).