1-(3-chloro-4-fluorophenyl)pentan-3-ol

C11H14ClFO — CID 103040809

IUPAC1-(3-chloro-4-fluorophenyl)pentan-3-ol
SMILESCCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-2-9(14)5-3-8-4-6-11(13)10(12)7-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyGORKDADAWFJJMZ-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)pentan-3-ol

1-(3-chloro-4-fluorophenyl)pentan-3-ol (PubChem CID 103040809) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)pentan-3-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)pentan-3-ol
PubChem CID103040809
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-(3-chloro-4-fluorophenyl)pentan-3-ol
SMILESCCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-2-9(14)5-3-8-4-6-11(13)10(12)7-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyGORKDADAWFJJMZ-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Chloro-alpha-ethylbenzenemethanol
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m-Chlorophenethylic alcohol
CID 78856
o-Chlorophenethylic alcohol
CID 88266
(3-Chlorophenyl)(phenyl)methanol
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(1S)-1-(3-chlorophenyl)ethan-1-ol
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1-(3-Chlorophenyl)-2,2,2-trifluoroethanol
CID 12184802
1-(3-Chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol
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3-Chloro-alpha-methylbenzenemethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)pentan-3-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)pentan-3-ol (CID 103040809) is 1-(3-chloro-4-fluorophenyl)pentan-3-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)pentan-3-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)pentan-3-ol is CCC(O)CCc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)pentan-3-ol?
The InChIKey is GORKDADAWFJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-2-9(14)5-3-8-4-6-11(13)10(12)7-8/h4,6-7,9,14H,2-3,5H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)pentan-3-ol?
1-(3-chloro-4-fluorophenyl)pentan-3-ol has a molecular weight of 216.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)pentan-3-ol is sourced from PubChem (CID 103040809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).