2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol

C21H16BrNO — CID 172711246

IUPAC2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
SMILESOc1ccccc1C(c1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16BrNO/c22-15-7-5-6-14(12-15)21(17-9-2-4-11-20(17)24)18-13-23-19-10-3-1-8-16(18)19/h1-13,21,23-24H
InChIKeyFGWPQCBIJQGNMI-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.82
Rot. Bonds3

About 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol

2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol (PubChem CID 172711246) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
PubChem CID172711246
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
SMILESOc1ccccc1C(c1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16BrNO/c22-15-7-5-6-14(12-15)21(17-9-2-4-11-20(17)24)18-13-23-19-10-3-1-8-16(18)19/h1-13,21,23-24H
InChIKeyFGWPQCBIJQGNMI-UHFFFAOYSA-N
XLogP5.82
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
CID 132544935
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
CID 163425608
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
N-[2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
CID 155666797
5-bromo-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78321201
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
3-[9H-fluoren-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 139526334
3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol
CID 170418989

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol?
The IUPAC name of 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol (CID 172711246) is 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol is Oc1ccccc1C(c1cccc(Br)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol?
The InChIKey is FGWPQCBIJQGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO/c22-15-7-5-6-14(12-15)21(17-9-2-4-11-20(17)24)18-13-23-19-10-3-1-8-16(18)19/h1-13,21,23-24H.
What are the key properties of 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol?
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol has a molecular weight of 378.27 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 172711246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).