1-(bromomethyl)-4-phenylmethoxyindole

C16H14BrNO — CID 59096925

IUPAC1-(bromomethyl)-4-phenylmethoxyindole
SMILESBrCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H14BrNO/c17-12-18-10-9-14-15(18)7-4-8-16(14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyPZWOEAYKZDNQEZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.57
Rot. Bonds4

About 1-(bromomethyl)-4-phenylmethoxyindole

1-(bromomethyl)-4-phenylmethoxyindole (PubChem CID 59096925) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(bromomethyl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-(bromomethyl)-4-phenylmethoxyindole
PubChem CID59096925
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name1-(bromomethyl)-4-phenylmethoxyindole
SMILESBrCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H14BrNO/c17-12-18-10-9-14-15(18)7-4-8-16(14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyPZWOEAYKZDNQEZ-UHFFFAOYSA-N
XLogP4.57
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-phenylmethoxyindole
CID 24776902
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556
CID 59096793
CID 59096793
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571777
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
4-phenylmethoxyindole-1-sulfinate
CID 23517350
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
1-(1-phenylethyl)-4-phenylmethoxyindole
CID 84571178
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
CID 159201070
CID 159201070

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-phenylmethoxyindole?
The IUPAC name of 1-(bromomethyl)-4-phenylmethoxyindole (CID 59096925) is 1-(bromomethyl)-4-phenylmethoxyindole.
What is the SMILES notation for 1-(bromomethyl)-4-phenylmethoxyindole?
The canonical SMILES for 1-(bromomethyl)-4-phenylmethoxyindole is BrCn1ccc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-(bromomethyl)-4-phenylmethoxyindole?
The InChIKey is PZWOEAYKZDNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-12-18-10-9-14-15(18)7-4-8-16(14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 1-(bromomethyl)-4-phenylmethoxyindole?
1-(bromomethyl)-4-phenylmethoxyindole has a molecular weight of 316.20 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-phenylmethoxyindole is sourced from PubChem (CID 59096925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).