(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol

C17H19BrO3 — CID 63650441

IUPAC(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
SMILESCOc1ccc(Br)cc1COc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C17H19BrO3/c1-11-4-6-15(12(2)19)17(8-11)21-10-13-9-14(18)5-7-16(13)20-3/h4-9,12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyFZMCJNOPFURNDL-GFCCVEGCSA-N
MW351.24 g/mol
LogP4.40
Rot. Bonds5

About (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol

(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol (PubChem CID 63650441) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
PubChem CID63650441
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
SMILESCOc1ccc(Br)cc1COc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C17H19BrO3/c1-11-4-6-15(12(2)19)17(8-11)21-10-13-9-14(18)5-7-16(13)20-3/h4-9,12,19H,10H2,1-3H3/t12-/m1/s1
InChIKeyFZMCJNOPFURNDL-GFCCVEGCSA-N
XLogP4.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol (CID 63650441) is (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol is COc1ccc(Br)cc1COc1cc(C)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is FZMCJNOPFURNDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-4-6-15(12(2)19)17(8-11)21-10-13-9-14(18)5-7-16(13)20-3/h4-9,12,19H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol?
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 63650441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).