2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol

C16H15NO3 — CID 117183677

IUPAC2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
SMILESCOc1cccc(OCc2cc3cccc(O)c3[nH]2)c1
InChIInChI=1S/C16H15NO3/c1-19-13-5-3-6-14(9-13)20-10-12-8-11-4-2-7-15(18)16(11)17-12/h2-9,17-18H,10H2,1H3
InChIKeySTUHJGMIFMLZGI-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.46
Rot. Bonds4

About 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol

2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol (PubChem CID 117183677) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
PubChem CID117183677
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
SMILESCOc1cccc(OCc2cc3cccc(O)c3[nH]2)c1
InChIInChI=1S/C16H15NO3/c1-19-13-5-3-6-14(9-13)20-10-12-8-11-4-2-7-15(18)16(11)17-12/h2-9,17-18H,10H2,1H3
InChIKeySTUHJGMIFMLZGI-UHFFFAOYSA-N
XLogP3.46
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180416
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
CID 117183729
2-(2-methylpropyl)-1H-indol-7-ol
CID 126584152
2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol
CID 117197112
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
(3-methoxyphenoxy)methanol
CID 10442564
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
CID 117183604

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol (CID 117183677) is 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol is COc1cccc(OCc2cc3cccc(O)c3[nH]2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol?
The InChIKey is STUHJGMIFMLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-13-5-3-6-14(9-13)20-10-12-8-11-4-2-7-15(18)16(11)17-12/h2-9,17-18H,10H2,1H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol?
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol has a molecular weight of 269.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol is sourced from PubChem (CID 117183677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).