3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol

C15H14BrNO — CID 117219224

IUPAC3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
SMILESOc1ccc(CN2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H14BrNO/c16-14-9-13(18)6-5-12(14)10-17-8-7-11-3-1-2-4-15(11)17/h1-6,9,18H,7-8,10H2
InChIKeyMDQMTUUNBNVCTO-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.72
Rot. Bonds2

About 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol

3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol (PubChem CID 117219224) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
PubChem CID117219224
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
SMILESOc1ccc(CN2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H14BrNO/c16-14-9-13(18)6-5-12(14)10-17-8-7-11-3-1-2-4-15(11)17/h1-6,9,18H,7-8,10H2
InChIKeyMDQMTUUNBNVCTO-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 63462245
1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
CID 55027487
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
CID 62178051
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzonitrile
CID 114480954
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482447

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The IUPAC name of 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol (CID 117219224) is 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol.
What is the SMILES notation for 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The canonical SMILES for 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol is Oc1ccc(CN2CCc3ccccc32)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The InChIKey is MDQMTUUNBNVCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-9-13(18)6-5-12(14)10-17-8-7-11-3-1-2-4-15(11)17/h1-6,9,18H,7-8,10H2.
What are the key properties of 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol?
3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol has a molecular weight of 304.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol is sourced from PubChem (CID 117219224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).