(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol

C17H19BrO3 — CID 63365689

IUPAC(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO3/c1-2-17(19)13-6-8-15(9-7-13)20-10-11-21-16-5-3-4-14(18)12-16/h3-9,12,17,19H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyITAPWEWWZGPXBR-QGZVFWFLSA-N
MW351.24 g/mol
LogP4.35
Rot. Bonds7

About (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol

(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol (PubChem CID 63365689) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
PubChem CID63365689
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO3/c1-2-17(19)13-6-8-15(9-7-13)20-10-11-21-16-5-3-4-14(18)12-16/h3-9,12,17,19H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyITAPWEWWZGPXBR-QGZVFWFLSA-N
XLogP4.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol (CID 63365689) is (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCCOc2cccc(Br)c2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol?
The InChIKey is ITAPWEWWZGPXBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-2-17(19)13-6-8-15(9-7-13)20-10-11-21-16-5-3-4-14(18)12-16/h3-9,12,17,19H,2,10-11H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol?
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol has a molecular weight of 351.24 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 63365689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).