3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol

C17H14BrNO — CID 86191765

IUPAC3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
SMILESCn1c(C=Cc2c(O)cccc2Br)cc2ccccc21
InChIInChI=1S/C17H14BrNO/c1-19-13(11-12-5-2-3-7-16(12)19)9-10-14-15(18)6-4-8-17(14)20/h2-11,20H,1H3
InChIKeySFRVOXXIBCQBRZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.82
Rot. Bonds2

About 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol

3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol (PubChem CID 86191765) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
PubChem CID86191765
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
SMILESCn1c(C=Cc2c(O)cccc2Br)cc2ccccc21
InChIInChI=1S/C17H14BrNO/c1-19-13(11-12-5-2-3-7-16(12)19)9-10-14-15(18)6-4-8-17(14)20/h2-11,20H,1H3
InChIKeySFRVOXXIBCQBRZ-UHFFFAOYSA-N
XLogP4.82
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol?
The IUPAC name of 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol (CID 86191765) is 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol?
The canonical SMILES for 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol is Cn1c(C=Cc2c(O)cccc2Br)cc2ccccc21.
What is the InChIKey of 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol?
The InChIKey is SFRVOXXIBCQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-19-13(11-12-5-2-3-7-16(12)19)9-10-14-15(18)6-4-8-17(14)20/h2-11,20H,1H3.
What are the key properties of 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol?
3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol has a molecular weight of 328.21 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol is sourced from PubChem (CID 86191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).