(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol

C15H23ClO3 — CID 55189871

IUPAC(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
SMILESCC(C)CCOCCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C15H23ClO3/c1-11(2)6-7-18-8-9-19-15-5-4-13(16)10-14(15)12(3)17/h4-5,10-12,17H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyQAJORPCZYRTRHE-GFCCVEGCSA-N
MW286.80 g/mol
LogP3.83
Rot. Bonds8

About (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol

(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol (PubChem CID 55189871) has the molecular formula C15H23ClO3 and a molecular weight of 286.80 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
PubChem CID55189871
Molecular FormulaC15H23ClO3
Molecular Weight286.80 g/mol
Exact Mass286.13
IUPAC Name(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
SMILESCC(C)CCOCCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C15H23ClO3/c1-11(2)6-7-18-8-9-19-15-5-4-13(16)10-14(15)12(3)17/h4-5,10-12,17H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyQAJORPCZYRTRHE-GFCCVEGCSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol (CID 55189871) is (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol is CC(C)CCOCCOc1ccc(Cl)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol?
The InChIKey is QAJORPCZYRTRHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClO3/c1-11(2)6-7-18-8-9-19-15-5-4-13(16)10-14(15)12(3)17/h4-5,10-12,17H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol?
(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol has a molecular weight of 286.80 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 55189871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).