1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol

C11H14ClFO2 — CID 114853191

IUPAC1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO2/c1-15-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyQJCQMARLZYYRLR-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol

1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol (PubChem CID 114853191) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
PubChem CID114853191
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO2/c1-15-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyQJCQMARLZYYRLR-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474
1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol
CID 90206971
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099907
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
methyl 4-(5-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoate
CID 114859601
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol (CID 114853191) is 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol is COCCCC(O)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol?
The InChIKey is QJCQMARLZYYRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-15-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol?
1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol has a molecular weight of 232.68 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 114853191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).