3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol

C15H13NO3 — CID 117181938

IUPAC3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
SMILESOc1cccc(OCc2c[nH]c3c(O)cccc23)c1
InChIInChI=1S/C15H13NO3/c17-11-3-1-4-12(7-11)19-9-10-8-16-15-13(10)5-2-6-14(15)18/h1-8,16-18H,9H2
InChIKeyVSVNLOFTGDXZKN-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.16
Rot. Bonds3

About 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol

3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol (PubChem CID 117181938) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
PubChem CID117181938
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
SMILESOc1cccc(OCc2c[nH]c3c(O)cccc23)c1
InChIInChI=1S/C15H13NO3/c17-11-3-1-4-12(7-11)19-9-10-8-16-15-13(10)5-2-6-14(15)18/h1-8,16-18H,9H2
InChIKeyVSVNLOFTGDXZKN-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

3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
3-[[5-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117174903
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol?
The IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol (CID 117181938) is 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol?
The canonical SMILES for 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol is Oc1cccc(OCc2c[nH]c3c(O)cccc23)c1.
What is the InChIKey of 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol?
The InChIKey is VSVNLOFTGDXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-11-3-1-4-12(7-11)19-9-10-8-16-15-13(10)5-2-6-14(15)18/h1-8,16-18H,9H2.
What are the key properties of 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol?
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-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 3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol is sourced from PubChem (CID 117181938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).