(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol

C16H17BrO3 — CID 63365872

IUPAC(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(Br)cc2[C@@H](C)O)c1
InChIInChI=1S/C16H17BrO3/c1-11(18)15-9-13(17)6-7-16(15)20-10-12-4-3-5-14(8-12)19-2/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1
InChIKeyMFHJOZHVSGELCH-LLVKDONJSA-N
MW337.21 g/mol
LogP4.09
Rot. Bonds5

About (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol

(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 63365872) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID63365872
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(Br)cc2[C@@H](C)O)c1
InChIInChI=1S/C16H17BrO3/c1-11(18)15-9-13(17)6-7-16(15)20-10-12-4-3-5-14(8-12)19-2/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1
InChIKeyMFHJOZHVSGELCH-LLVKDONJSA-N
XLogP4.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol
CID 113302917
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol (CID 63365872) is (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol is COc1cccc(COc2ccc(Br)cc2[C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is MFHJOZHVSGELCH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-11(18)15-9-13(17)6-7-16(15)20-10-12-4-3-5-14(8-12)19-2/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol?
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 4.09, 5 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-[(3-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63365872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).