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

C12H16ClFO — CID 107894917

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

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

2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol (PubChem CID 107894917) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
PubChem CID107894917
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFO/c1-2-3-10(8-15)6-9-4-5-11(13)12(14)7-9/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyXSROXUCFJBYQEX-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-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol (CID 107894917) is 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol is CCCC(CO)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol?
The InChIKey is XSROXUCFJBYQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-2-3-10(8-15)6-9-4-5-11(13)12(14)7-9/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol?
2-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 107894917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).