(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol

C13H17BrO3 — CID 63365892

IUPAC(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCC1CCOC1
InChIInChI=1S/C13H17BrO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3/t9-,10?/m1/s1
InChIKeyLZQCZQJUICBHHT-YHMJZVADSA-N
MW301.18 g/mol
LogP2.92
Rot. Bonds4

About (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol

(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol (PubChem CID 63365892) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
PubChem CID63365892
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCC1CCOC1
InChIInChI=1S/C13H17BrO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3/t9-,10?/m1/s1
InChIKeyLZQCZQJUICBHHT-YHMJZVADSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
(1R)-1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79172537
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol (CID 63365892) is (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1cc(Br)ccc1OCC1CCOC1.
What is the InChIKey of (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The InChIKey is LZQCZQJUICBHHT-YHMJZVADSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol has a molecular weight of 301.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 63365892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).