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

C15H12ClNO2 — CID 117181875

IUPAC3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
SMILESOc1cccc2c(COc3ccccc3Cl)c[nH]c12
InChIInChI=1S/C15H12ClNO2/c16-12-5-1-2-7-14(12)19-9-10-8-17-15-11(10)4-3-6-13(15)18/h1-8,17-18H,9H2
InChIKeyYMSNETYBCRFTON-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.11
Rot. Bonds3

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

3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol (PubChem CID 117181875) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
PubChem CID117181875
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
SMILESOc1cccc2c(COc3ccccc3Cl)c[nH]c12
InChIInChI=1S/C15H12ClNO2/c16-12-5-1-2-7-14(12)19-9-10-8-17-15-11(10)4-3-6-13(15)18/h1-8,17-18H,9H2
InChIKeyYMSNETYBCRFTON-UHFFFAOYSA-N
XLogP4.11
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170889
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol (CID 117181875) is 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol is Oc1cccc2c(COc3ccccc3Cl)c[nH]c12.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol?
The InChIKey is YMSNETYBCRFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-5-1-2-7-14(12)19-9-10-8-17-15-11(10)4-3-6-13(15)18/h1-8,17-18H,9H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol?
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol has a molecular weight of 273.72 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol is sourced from PubChem (CID 117181875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).