1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol

C13H18ClFO3 — CID 114012678

IUPAC1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFO3/c1-17-6-7-18-5-4-11(16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,16H,4-8H2,1H3
InChIKeyZNQCTLXGOWNZNC-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.44
Rot. Bonds8

About 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol

1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol (PubChem CID 114012678) has the molecular formula C13H18ClFO3 and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
PubChem CID114012678
Molecular FormulaC13H18ClFO3
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFO3/c1-17-6-7-18-5-4-11(16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,16H,4-8H2,1H3
InChIKeyZNQCTLXGOWNZNC-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol 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

1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol (CID 114012678) is 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol is COCCOCCC(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol?
The InChIKey is ZNQCTLXGOWNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO3/c1-17-6-7-18-5-4-11(16)8-10-2-3-12(14)13(15)9-10/h2-3,9,11,16H,4-8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol?
1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol has a molecular weight of 276.73 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol is sourced from PubChem (CID 114012678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).