(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol

C15H23BrO5 — CID 104564070

IUPAC(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
SMILESCOCCOCCOCCOc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H23BrO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyGPRZSMXZVSRPKS-LBPRGKRZSA-N
MW363.25 g/mol
LogP2.56
Rot. Bonds11

About (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol

(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol (PubChem CID 104564070) has the molecular formula C15H23BrO5 and a molecular weight of 363.25 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
PubChem CID104564070
Molecular FormulaC15H23BrO5
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
SMILESCOCCOCCOCCOc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H23BrO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyGPRZSMXZVSRPKS-LBPRGKRZSA-N
XLogP2.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol (CID 104564070) is (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol is COCCOCCOCCOc1ccc(Br)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The InChIKey is GPRZSMXZVSRPKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23BrO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol has a molecular weight of 363.25 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol is sourced from PubChem (CID 104564070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).