2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid

C16H13NO4 — CID 117180415

IUPAC2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(COc3cccc(O)c3)[nH]c2c1
InChIInChI=1S/C16H13NO4/c18-13-2-1-3-14(8-13)21-9-12-6-10-4-5-11(16(19)20)7-15(10)17-12/h1-8,17-18H,9H2,(H,19,20)
InChIKeyXGOZCGYZPAUIPD-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.15
Rot. Bonds4

About 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid

2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid (PubChem CID 117180415) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
PubChem CID117180415
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(COc3cccc(O)c3)[nH]c2c1
InChIInChI=1S/C16H13NO4/c18-13-2-1-3-14(8-13)21-9-12-6-10-4-5-11(16(19)20)7-15(10)17-12/h1-8,17-18H,9H2,(H,19,20)
InChIKeyXGOZCGYZPAUIPD-UHFFFAOYSA-N
XLogP3.15
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180416
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
CID 22568421
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
CID 117180187
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
2-[(3-fluorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173543
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid (CID 117180415) is 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid is O=C(O)c1ccc2cc(COc3cccc(O)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The InChIKey is XGOZCGYZPAUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-13-2-1-3-14(8-13)21-9-12-6-10-4-5-11(16(19)20)7-15(10)17-12/h1-8,17-18H,9H2,(H,19,20).
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117180415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).