(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol

C17H19BrO2 — CID 102948817

IUPAC(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)cc(COc2cc(Br)ccc2[C@@H](C)O)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)8-14(7-11)10-20-17-9-15(18)4-5-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m1/s1
InChIKeyLTCCPEPMOCWTMV-CYBMUJFWSA-N
MW335.24 g/mol
LogP4.70
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol

(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 102948817) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
PubChem CID102948817
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)cc(COc2cc(Br)ccc2[C@@H](C)O)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)8-14(7-11)10-20-17-9-15(18)4-5-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m1/s1
InChIKeyLTCCPEPMOCWTMV-CYBMUJFWSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
4-[[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102948608
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
3-[[5-bromo-2-(1-hydroxyethyl)phenoxy]methyl]benzonitrile
CID 102948224
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol (CID 102948817) is (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol is Cc1cc(C)cc(COc2cc(Br)ccc2[C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is LTCCPEPMOCWTMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-6-12(2)8-14(7-11)10-20-17-9-15(18)4-5-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol?
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol has a molecular weight of 335.24 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).