5-bromo-1-[(3-methoxyphenyl)methyl]indole

C16H14BrNO — CID 116619594

IUPAC5-bromo-1-[(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C16H14BrNO/c1-19-15-4-2-3-12(9-15)11-18-8-7-13-10-14(17)5-6-16(13)18/h2-10H,11H2,1H3
InChIKeySNGNDYCPVBGKFP-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-1-[(3-methoxyphenyl)methyl]indole

5-bromo-1-[(3-methoxyphenyl)methyl]indole (PubChem CID 116619594) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-1-[(3-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3-methoxyphenyl)methyl]indole
PubChem CID116619594
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name5-bromo-1-[(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C16H14BrNO/c1-19-15-4-2-3-12(9-15)11-18-8-7-13-10-14(17)5-6-16(13)18/h2-10H,11H2,1H3
InChIKeySNGNDYCPVBGKFP-UHFFFAOYSA-N
XLogP4.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
1-[(3-methoxyphenyl)methyl]-7-methylindole
CID 123473530
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
1-[(3-bromophenyl)methyl]indole
CID 22256844
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-methoxyphenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3-methoxyphenyl)methyl]indole (CID 116619594) is 5-bromo-1-[(3-methoxyphenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3-methoxyphenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3-methoxyphenyl)methyl]indole is COc1cccc(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[(3-methoxyphenyl)methyl]indole?
The InChIKey is SNGNDYCPVBGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-19-15-4-2-3-12(9-15)11-18-8-7-13-10-14(17)5-6-16(13)18/h2-10H,11H2,1H3.
What are the key properties of 5-bromo-1-[(3-methoxyphenyl)methyl]indole?
5-bromo-1-[(3-methoxyphenyl)methyl]indole has a molecular weight of 316.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-methoxyphenyl)methyl]indole is sourced from PubChem (CID 116619594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).