1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole

C18H18BrNO — CID 83165323

IUPAC1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1cccc(Br)c1
InChIInChI=1S/C18H18BrNO/c1-13(2)21-18-8-4-7-17-16(18)9-10-20(17)12-14-5-3-6-15(19)11-14/h3-11,13H,12H2,1-2H3
InChIKeyKQXGYWWUMVANAA-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.24
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole

1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole (PubChem CID 83165323) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
PubChem CID83165323
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1cccc(Br)c1
InChIInChI=1S/C18H18BrNO/c1-13(2)21-18-8-4-7-17-16(18)9-10-20(17)12-14-5-3-6-15(19)11-14/h3-11,13H,12H2,1-2H3
InChIKeyKQXGYWWUMVANAA-UHFFFAOYSA-N
XLogP5.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.24
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
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
1-[(3-bromophenyl)methyl]indole
CID 22256844
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
3-[(4-methoxyindol-1-yl)methyl]phenol
CID 83173528
(Z)-2-methyl-4-(4-propan-2-yloxyindol-1-yl)but-2-enoic acid
CID 83163478
5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83163053

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole (CID 83165323) is 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole is CC(C)Oc1cccc2c1ccn2Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole?
The InChIKey is KQXGYWWUMVANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-13(2)21-18-8-4-7-17-16(18)9-10-20(17)12-14-5-3-6-15(19)11-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole?
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole has a molecular weight of 344.25 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole is sourced from PubChem (CID 83165323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).