4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol

C11H14ClFO2 — CID 102858287

IUPAC4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2/c1-15-7-9(14)6-5-8-3-2-4-10(12)11(8)13/h2-4,9,14H,5-7H2,1H3
InChIKeyIRVHLQSVYGHYRC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.42
Rot. Bonds5

About 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol

4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol (PubChem CID 102858287) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol
PubChem CID102858287
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2/c1-15-7-9(14)6-5-8-3-2-4-10(12)11(8)13/h2-4,9,14H,5-7H2,1H3
InChIKeyIRVHLQSVYGHYRC-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methylamino]-1-methoxybutan-2-ol
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1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
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1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
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2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
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3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876817
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
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1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
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1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol (CID 102858287) is 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol is COCC(O)CCc1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol?
The InChIKey is IRVHLQSVYGHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-15-7-9(14)6-5-8-3-2-4-10(12)11(8)13/h2-4,9,14H,5-7H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol?
4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol has a molecular weight of 232.68 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-1-methoxybutan-2-ol is sourced from PubChem (CID 102858287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).