1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole

C18H18ClNO — CID 83165469

IUPAC1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccccc1Cl
InChIInChI=1S/C18H18ClNO/c1-13(2)21-18-9-5-8-17-15(18)10-11-20(17)12-14-6-3-4-7-16(14)19/h3-11,13H,12H2,1-2H3
InChIKeyNRENSFROFMKAHS-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.13
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole

1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole (PubChem CID 83165469) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
PubChem CID83165469
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccccc1Cl
InChIInChI=1S/C18H18ClNO/c1-13(2)21-18-9-5-8-17-15(18)10-11-20(17)12-14-6-3-4-7-16(14)19/h3-11,13H,12H2,1-2H3
InChIKeyNRENSFROFMKAHS-UHFFFAOYSA-N
XLogP5.13
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83163053
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole (CID 83165469) is 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole is CC(C)Oc1cccc2c1ccn2Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole?
The InChIKey is NRENSFROFMKAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13(2)21-18-9-5-8-17-15(18)10-11-20(17)12-14-6-3-4-7-16(14)19/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole?
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole has a molecular weight of 299.80 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole is sourced from PubChem (CID 83165469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).