(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol

C15H15BrO2 — CID 113359072

IUPAC(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C15H15BrO2/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13,17H,2H2,1H3/t13-/m1/s1
InChIKeyKFACORROAFQNGT-CYBMUJFWSA-N
MW307.19 g/mol
LogP4.68
Rot. Bonds4

About (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol

(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol (PubChem CID 113359072) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
PubChem CID113359072
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C15H15BrO2/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13,17H,2H2,1H3/t13-/m1/s1
InChIKeyKFACORROAFQNGT-CYBMUJFWSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
CID 104892698

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol (CID 113359072) is (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccccc1Br.
What is the InChIKey of (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol?
The InChIKey is KFACORROAFQNGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13,17H,2H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol has a molecular weight of 307.19 g/mol, XLogP of 4.68, 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-bromophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 113359072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).