2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol

C15H13NO3 — CID 117180212

IUPAC2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
SMILESOc1cccc(OCc2cc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H13NO3/c17-12-2-1-3-14(7-12)19-9-11-6-10-4-5-13(18)8-15(10)16-11/h1-8,16-18H,9H2
InChIKeyZGDQLFUEQJUPFX-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.16
Rot. Bonds3

About 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol

2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol (PubChem CID 117180212) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
PubChem CID117180212
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
SMILESOc1cccc(OCc2cc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H13NO3/c17-12-2-1-3-14(7-12)19-9-11-6-10-4-5-13(18)8-15(10)16-11/h1-8,16-18H,9H2
InChIKeyZGDQLFUEQJUPFX-UHFFFAOYSA-N
XLogP3.16
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180415
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
CID 117180187
2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180416
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
CID 22568421
6-fluoro-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117180276
2-[(6-fluoro-1H-indol-2-yl)methoxy]phenol
CID 117180167
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
CID 117183677
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
CID 117176788
4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol
CID 117205413

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol (CID 117180212) is 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol is Oc1cccc(OCc2cc3ccc(O)cc3[nH]2)c1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol?
The InChIKey is ZGDQLFUEQJUPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-12-2-1-3-14(7-12)19-9-11-6-10-4-5-13(18)8-15(10)16-11/h1-8,16-18H,9H2.
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol?
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol has a molecular weight of 255.27 g/mol, XLogP of 3.16, 3 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-indol-6-ol is sourced from PubChem (CID 117180212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).