(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol

C16H17BrO3 — CID 63364819

IUPAC(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccccc2[C@@H](C)O)cc1Br
InChIInChI=1S/C16H17BrO3/c1-11(18)13-5-3-4-6-15(13)20-10-12-7-8-16(19-2)14(17)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1
InChIKeyBWGHPGPXKZMVLZ-LLVKDONJSA-N
MW337.21 g/mol
LogP4.09
Rot. Bonds5

About (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol

(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 63364819) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID63364819
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccccc2[C@@H](C)O)cc1Br
InChIInChI=1S/C16H17BrO3/c1-11(18)13-5-3-4-6-15(13)20-10-12-7-8-16(19-2)14(17)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1
InChIKeyBWGHPGPXKZMVLZ-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-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
4-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-2-methoxybenzonitrile
CID 106792150
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323216
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol (CID 63364819) is (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(COc2ccccc2[C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is BWGHPGPXKZMVLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-11(18)13-5-3-4-6-15(13)20-10-12-7-8-16(19-2)14(17)9-12/h3-9,11,18H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol?
(1R)-1-[2-[(3-bromo-4-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-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63364819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).