(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol

C16H17BrO2 — CID 103960518

IUPAC(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C)cc1Br
InChIInChI=1S/C16H17BrO2/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1
InChIKeyCCRZJQLNUZFADP-CQSZACIVSA-N
MW321.21 g/mol
LogP4.99
Rot. Bonds4

About (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol

(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol (PubChem CID 103960518) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
PubChem CID103960518
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C)cc1Br
InChIInChI=1S/C16H17BrO2/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1
InChIKeyCCRZJQLNUZFADP-CQSZACIVSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
CID 103960594
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol (CID 103960518) is (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccc(C)cc1Br.
What is the InChIKey of (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol?
The InChIKey is CCRZJQLNUZFADP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol has a molecular weight of 321.21 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).