4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol

C16H15BrO2 — CID 169291963

IUPAC4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol
SMILESOc1ccc(Br)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15BrO2/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,18H,8-10H2
InChIKeyKJJYCPUGNUOGKZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol

4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol (PubChem CID 169291963) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol
PubChem CID169291963
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol
SMILESOc1ccc(Br)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15BrO2/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,18H,8-10H2
InChIKeyKJJYCPUGNUOGKZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol?
The IUPAC name of 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol (CID 169291963) is 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol.
What is the SMILES notation for 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol?
The canonical SMILES for 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol is Oc1ccc(Br)c(COC2Cc3ccccc3C2)c1.
What is the InChIKey of 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol?
The InChIKey is KJJYCPUGNUOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,18H,8-10H2.
What are the key properties of 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol?
4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol has a molecular weight of 319.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol is sourced from PubChem (CID 169291963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).