3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole

C19H20ClNO — CID 117184652

IUPAC3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
SMILESCc1cccc2c1c(COc1cccc(Cl)c1)cn2C(C)C
InChIInChI=1S/C19H20ClNO/c1-13(2)21-11-15(19-14(3)6-4-9-18(19)21)12-22-17-8-5-7-16(20)10-17/h4-11,13H,12H2,1-3H3
InChIKeyGDXZIMAQUNIJLG-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.76
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole

3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole (PubChem CID 117184652) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
PubChem CID117184652
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
SMILESCc1cccc2c1c(COc1cccc(Cl)c1)cn2C(C)C
InChIInChI=1S/C19H20ClNO/c1-13(2)21-11-15(19-14(3)6-4-9-18(19)21)12-22-17-8-5-7-16(20)10-17/h4-11,13H,12H2,1-3H3
InChIKeyGDXZIMAQUNIJLG-UHFFFAOYSA-N
XLogP5.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191931
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole (CID 117184652) is 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole is Cc1cccc2c1c(COc1cccc(Cl)c1)cn2C(C)C.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole?
The InChIKey is GDXZIMAQUNIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)21-11-15(19-14(3)6-4-9-18(19)21)12-22-17-8-5-7-16(20)10-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole?
3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole has a molecular weight of 313.83 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole is sourced from PubChem (CID 117184652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).