[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol

C13H17BrO3 — CID 65162888

IUPAC[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
SMILESOCc1cccc(Br)c1OCCC1CCCO1
InChIInChI=1S/C13H17BrO3/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11,15H,2,4,6-9H2
InChIKeyYSNLQNUZVISUGI-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.89
Rot. Bonds5

About [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol

[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol (PubChem CID 65162888) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
PubChem CID65162888
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
SMILESOCc1cccc(Br)c1OCCC1CCCO1
InChIInChI=1S/C13H17BrO3/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11,15H,2,4,6-9H2
InChIKeyYSNLQNUZVISUGI-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158931
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
2-[[3-bromo-2-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]oxirane
CID 59869434
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
3-[3-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-enoic acid
CID 77058018
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[3-[2-(bromomethyl)-6-methylphenoxy]propyl]oxolane
CID 112614116
N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158829

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol (CID 65162888) is [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol is OCc1cccc(Br)c1OCCC1CCCO1.
What is the InChIKey of [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The InChIKey is YSNLQNUZVISUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11,15H,2,4,6-9H2.
What are the key properties of [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol has a molecular weight of 301.18 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 65162888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).