3-[(1,5-dimethylindol-3-yl)methoxy]phenol

C17H17NO2 — CID 117185130

IUPAC3-[(1,5-dimethylindol-3-yl)methoxy]phenol
SMILESCc1ccc2c(c1)c(COc1cccc(O)c1)cn2C
InChIInChI=1S/C17H17NO2/c1-12-6-7-17-16(8-12)13(10-18(17)2)11-20-15-5-3-4-14(19)9-15/h3-10,19H,11H2,1-2H3
InChIKeyNHBWRXDTBNJRKN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds3

About 3-[(1,5-dimethylindol-3-yl)methoxy]phenol

3-[(1,5-dimethylindol-3-yl)methoxy]phenol (PubChem CID 117185130) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(1,5-dimethylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(1,5-dimethylindol-3-yl)methoxy]phenol
PubChem CID117185130
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-[(1,5-dimethylindol-3-yl)methoxy]phenol
SMILESCc1ccc2c(c1)c(COc1cccc(O)c1)cn2C
InChIInChI=1S/C17H17NO2/c1-12-6-7-17-16(8-12)13(10-18(17)2)11-20-15-5-3-4-14(19)9-15/h3-10,19H,11H2,1-2H3
InChIKeyNHBWRXDTBNJRKN-UHFFFAOYSA-N
XLogP3.77
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylindol-3-yl)methoxy]phenol?
The IUPAC name of 3-[(1,5-dimethylindol-3-yl)methoxy]phenol (CID 117185130) is 3-[(1,5-dimethylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(1,5-dimethylindol-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(1,5-dimethylindol-3-yl)methoxy]phenol is Cc1ccc2c(c1)c(COc1cccc(O)c1)cn2C.
What is the InChIKey of 3-[(1,5-dimethylindol-3-yl)methoxy]phenol?
The InChIKey is NHBWRXDTBNJRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-6-7-17-16(8-12)13(10-18(17)2)11-20-15-5-3-4-14(19)9-15/h3-10,19H,11H2,1-2H3.
What are the key properties of 3-[(1,5-dimethylindol-3-yl)methoxy]phenol?
3-[(1,5-dimethylindol-3-yl)methoxy]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).