2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol

C12H16ClFO — CID 103041973

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-2-3-10(8-15)6-9-4-5-12(14)11(13)7-9/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyCOTUYGDZJUKKMJ-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.43
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol

2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol (PubChem CID 103041973) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
PubChem CID103041973
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-2-3-10(8-15)6-9-4-5-12(14)11(13)7-9/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyCOTUYGDZJUKKMJ-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol (CID 103041973) is 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol is CCCC(CO)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol?
The InChIKey is COTUYGDZJUKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-2-3-10(8-15)6-9-4-5-12(14)11(13)7-9/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol?
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol has a molecular weight of 230.71 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 103041973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).