3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol

C16H15NO3 — CID 117171302

IUPAC3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
SMILESCn1cc(COc2ccccc2O)c2c(O)cccc21
InChIInChI=1S/C16H15NO3/c1-17-9-11(16-12(17)5-4-7-14(16)19)10-20-15-8-3-2-6-13(15)18/h2-9,18-19H,10H2,1H3
InChIKeyHFFDLPJDWMFZFB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.17
Rot. Bonds3

About 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol

3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol (PubChem CID 117171302) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol.

Molecular Properties

Compound Name3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
PubChem CID117171302
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
SMILESCn1cc(COc2ccccc2O)c2c(O)cccc21
InChIInChI=1S/C16H15NO3/c1-17-9-11(16-12(17)5-4-7-14(16)19)10-20-15-8-3-2-6-13(15)18/h2-9,18-19H,10H2,1H3
InChIKeyHFFDLPJDWMFZFB-UHFFFAOYSA-N
XLogP3.17
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279
1,4-dimethyl-3-[[2-(trifluoromethyl)phenoxy]methyl]indole
CID 117184553
3-(ethylsulfanylmethyl)-1-methylindol-4-ol
CID 117171494
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol
CID 156852043
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
CID 166732600
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117185196
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol?
The IUPAC name of 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol (CID 117171302) is 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol.
What is the SMILES notation for 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol?
The canonical SMILES for 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol is Cn1cc(COc2ccccc2O)c2c(O)cccc21.
What is the InChIKey of 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol?
The InChIKey is HFFDLPJDWMFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-9-11(16-12(17)5-4-7-14(16)19)10-20-15-8-3-2-6-13(15)18/h2-9,18-19H,10H2,1H3.
What are the key properties of 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol?
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol has a molecular weight of 269.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol is sourced from PubChem (CID 117171302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).