1-[(2-bromophenyl)methyl]-4-propoxyindole

C18H18BrNO — CID 83166128

IUPAC1-[(2-bromophenyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1ccccc1Br
InChIInChI=1S/C18H18BrNO/c1-2-12-21-18-9-5-8-17-15(18)10-11-20(17)13-14-6-3-4-7-16(14)19/h3-11H,2,12-13H2,1H3
InChIKeyIBFBLTROLVSXRJ-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.24
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-4-propoxyindole

1-[(2-bromophenyl)methyl]-4-propoxyindole (PubChem CID 83166128) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-propoxyindole.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-propoxyindole
PubChem CID83166128
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-[(2-bromophenyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1ccccc1Br
InChIInChI=1S/C18H18BrNO/c1-2-12-21-18-9-5-8-17-15(18)10-11-20(17)13-14-6-3-4-7-16(14)19/h3-11H,2,12-13H2,1H3
InChIKeyIBFBLTROLVSXRJ-UHFFFAOYSA-N
XLogP5.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
CID 83174184
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
1-bromo-2,3-dipropoxybenzene
CID 91157628

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-propoxyindole?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-propoxyindole (CID 83166128) is 1-[(2-bromophenyl)methyl]-4-propoxyindole.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-propoxyindole?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-propoxyindole is CCCOc1cccc2c1ccn2Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-propoxyindole?
The InChIKey is IBFBLTROLVSXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-2-12-21-18-9-5-8-17-15(18)10-11-20(17)13-14-6-3-4-7-16(14)19/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-propoxyindole?
1-[(2-bromophenyl)methyl]-4-propoxyindole has a molecular weight of 344.25 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-propoxyindole is sourced from PubChem (CID 83166128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).