(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol

C16H15BrF2O2 — CID 106264403

IUPAC(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2c(F)ccc(Br)c2F)c([C@@H](C)O)c1
InChIInChI=1S/C16H15BrF2O2/c1-9-3-6-15(11(7-9)10(2)20)21-8-12-14(18)5-4-13(17)16(12)19/h3-7,10,20H,8H2,1-2H3/t10-/m1/s1
InChIKeyMQPIUXAYVXVBFF-SNVBAGLBSA-N
MW357.19 g/mol
LogP4.67
Rot. Bonds4

About (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol

(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol (PubChem CID 106264403) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
PubChem CID106264403
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2c(F)ccc(Br)c2F)c([C@@H](C)O)c1
InChIInChI=1S/C16H15BrF2O2/c1-9-3-6-15(11(7-9)10(2)20)21-8-12-14(18)5-4-13(17)16(12)19/h3-7,10,20H,8H2,1-2H3/t10-/m1/s1
InChIKeyMQPIUXAYVXVBFF-SNVBAGLBSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 106264434
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol (CID 106264403) is (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(OCc2c(F)ccc(Br)c2F)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is MQPIUXAYVXVBFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-9-3-6-15(11(7-9)10(2)20)21-8-12-14(18)5-4-13(17)16(12)19/h3-7,10,20H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 357.19 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 106264403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).