1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol

C13H19ClO3 — CID 65175757

IUPAC1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
SMILESCCOCCCOc1ccc(Cl)cc1C(C)O
InChIInChI=1S/C13H19ClO3/c1-3-16-7-4-8-17-13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyFJPXMXKJDSUFJY-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.20
Rot. Bonds7

About 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol

1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol (PubChem CID 65175757) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
PubChem CID65175757
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
SMILESCCOCCCOc1ccc(Cl)cc1C(C)O
InChIInChI=1S/C13H19ClO3/c1-3-16-7-4-8-17-13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyFJPXMXKJDSUFJY-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-2-(3-ethoxypropoxy)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-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol (CID 65175757) is 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol is CCOCCCOc1ccc(Cl)cc1C(C)O.
What is the InChIKey of 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol?
The InChIKey is FJPXMXKJDSUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-3-16-7-4-8-17-13-6-5-11(14)9-12(13)10(2)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol?
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol has a molecular weight of 258.74 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol is sourced from PubChem (CID 65175757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).