(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol

C16H17BrO3 — CID 107712787

IUPAC(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccccc2CCO)c(Br)c1
InChIInChI=1S/C16H17BrO3/c1-11(19)13-6-7-16(14(17)10-13)20-15-5-3-2-4-12(15)8-9-18/h2-7,10-11,18-19H,8-9H2,1H3/t11-/m1/s1
InChIKeyRGQVEEFZGJJFLE-LLVKDONJSA-N
MW337.21 g/mol
LogP3.83
Rot. Bonds5

About (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol

(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol (PubChem CID 107712787) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol
PubChem CID107712787
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccccc2CCO)c(Br)c1
InChIInChI=1S/C16H17BrO3/c1-11(19)13-6-7-16(14(17)10-13)20-15-5-3-2-4-12(15)8-9-18/h2-7,10-11,18-19H,8-9H2,1H3/t11-/m1/s1
InChIKeyRGQVEEFZGJJFLE-LLVKDONJSA-N
XLogP3.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107712752
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
(1S)-1-[3-bromo-4-(2,3,5-trimethylphenoxy)phenyl]ethanol
CID 78944847
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100123
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol (CID 107712787) is (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccccc2CCO)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol?
The InChIKey is RGQVEEFZGJJFLE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-11(19)13-6-7-16(14(17)10-13)20-15-5-3-2-4-12(15)8-9-18/h2-7,10-11,18-19H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol?
(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 107712787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).