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

C15H15BrO2 — CID 114069921

IUPAC(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc([C@@H](C)O)c(Br)c2)c1
InChIInChI=1S/C15H15BrO2/c1-10-4-3-5-12(8-10)18-13-6-7-14(11(2)17)15(16)9-13/h3-9,11,17H,1-2H3/t11-/m1/s1
InChIKeyITIDVCYPFXKZFL-LLVKDONJSA-N
MW307.19 g/mol
LogP4.60
Rot. Bonds3

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

(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol (PubChem CID 114069921) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol
PubChem CID114069921
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc([C@@H](C)O)c(Br)c2)c1
InChIInChI=1S/C15H15BrO2/c1-10-4-3-5-12(8-10)18-13-6-7-14(11(2)17)15(16)9-13/h3-9,11,17H,1-2H3/t11-/m1/s1
InChIKeyITIDVCYPFXKZFL-LLVKDONJSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
CID 114069916
(1S)-1-[2-bromo-4-(3-methylphenyl)sulfanylphenyl]ethanol
CID 114070081
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2,4-bis(3-methylphenoxy)phenol
CID 139941781
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol (CID 114069921) is (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol is Cc1cccc(Oc2ccc([C@@H](C)O)c(Br)c2)c1.
What is the InChIKey of (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol?
The InChIKey is ITIDVCYPFXKZFL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-4-3-5-12(8-10)18-13-6-7-14(11(2)17)15(16)9-13/h3-9,11,17H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol?
(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol has a molecular weight of 307.19 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 114069921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).