2-[(3,5-dichlorophenyl)methyl]pentan-1-ol

C12H16Cl2O — CID 78018332

IUPAC2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3
InChIKeyNDHKOLSJVGFBDF-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.94
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol

2-[(3,5-dichlorophenyl)methyl]pentan-1-ol (PubChem CID 78018332) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
PubChem CID78018332
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3
InChIKeyNDHKOLSJVGFBDF-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
2-[(4-chlorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734361

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol (CID 78018332) is 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol is CCCC(CO)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol?
The InChIKey is NDHKOLSJVGFBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3.
What are the key properties of 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol?
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 78018332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).