2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol

C18H18ClNO2 — CID 117182430

IUPAC2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccccc2O)c2cccc(Cl)c21
InChIInChI=1S/C18H18ClNO2/c1-12(2)20-10-13(14-6-5-7-15(19)18(14)20)11-22-17-9-4-3-8-16(17)21/h3-10,12,21H,11H2,1-2H3
InChIKeyNRJGAJDSYIRDQS-UHFFFAOYSA-N
MW315.80 g/mol
LogP5.16
Rot. Bonds4

About 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol

2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol (PubChem CID 117182430) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
PubChem CID117182430
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccccc2O)c2cccc(Cl)c21
InChIInChI=1S/C18H18ClNO2/c1-12(2)20-10-13(14-6-5-7-15(19)18(14)20)11-22-17-9-4-3-8-16(17)21/h3-10,12,21H,11H2,1-2H3
InChIKeyNRJGAJDSYIRDQS-UHFFFAOYSA-N
XLogP5.16
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.80
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117185196
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol (CID 117182430) is 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol is CC(C)n1cc(COc2ccccc2O)c2cccc(Cl)c21.
What is the InChIKey of 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The InChIKey is NRJGAJDSYIRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12(2)20-10-13(14-6-5-7-15(19)18(14)20)11-22-17-9-4-3-8-16(17)21/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol?
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol has a molecular weight of 315.80 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117182430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).