1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol

C17H17BrO2 — CID 82970896

IUPAC1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrO2/c1-11(19)16-8-6-14(18)10-17(16)20-15-7-5-12-3-2-4-13(12)9-15/h5-11,19H,2-4H2,1H3
InChIKeyKLZCBOSSAZTMLU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.78
Rot. Bonds3

About 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol

1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol (PubChem CID 82970896) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
PubChem CID82970896
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrO2/c1-11(19)16-8-6-14(18)10-17(16)20-15-7-5-12-3-2-4-13(12)9-15/h5-11,19H,2-4H2,1H3
InChIKeyKLZCBOSSAZTMLU-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
CID 43364721
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
CID 114069916

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol (CID 82970896) is 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The InChIKey is KLZCBOSSAZTMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11(19)16-8-6-14(18)10-17(16)20-15-7-5-12-3-2-4-13(12)9-15/h5-11,19H,2-4H2,1H3.
What are the key properties of 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol has a molecular weight of 333.23 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol is sourced from PubChem (CID 82970896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).