1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol

C17H17NO2 — CID 117181915

IUPAC1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
SMILESCc1cccc(OCc2cn(C)c3c(O)cccc23)c1
InChIInChI=1S/C17H17NO2/c1-12-5-3-6-14(9-12)20-11-13-10-18(2)17-15(13)7-4-8-16(17)19/h3-10,19H,11H2,1-2H3
InChIKeyWXKUXJWNMFGICQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds3

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

1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol (PubChem CID 117181915) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
PubChem CID117181915
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
SMILESCc1cccc(OCc2cn(C)c3c(O)cccc23)c1
InChIInChI=1S/C17H17NO2/c1-12-5-3-6-14(9-12)20-11-13-10-18(2)17-15(13)7-4-8-16(17)19/h3-10,19H,11H2,1-2H3
InChIKeyWXKUXJWNMFGICQ-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
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
3-[(3-chlorophenoxy)methyl]-1-methylindole-7-carboxylic acid
CID 117182146
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol?
The IUPAC name of 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol (CID 117181915) is 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol.
What is the SMILES notation for 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol?
The canonical SMILES for 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol is Cc1cccc(OCc2cn(C)c3c(O)cccc23)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol?
The InChIKey is WXKUXJWNMFGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-5-3-6-14(9-12)20-11-13-10-18(2)17-15(13)7-4-8-16(17)19/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol?
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol 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 1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol is sourced from PubChem (CID 117181915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).