3-[(4-chlorophenyl)methyl]hexan-1-ol

C13H19ClO — CID 143267872

IUPAC3-[(4-chlorophenyl)methyl]hexan-1-ol
SMILESCCCC(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-11(8-9-15)10-12-4-6-13(14)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeySPXYMKUJBXMLTP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.68
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]hexan-1-ol

3-[(4-chlorophenyl)methyl]hexan-1-ol (PubChem CID 143267872) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]hexan-1-ol
PubChem CID143267872
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name3-[(4-chlorophenyl)methyl]hexan-1-ol
SMILESCCCC(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-11(8-9-15)10-12-4-6-13(14)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeySPXYMKUJBXMLTP-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
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1-chloro-4-[2-(chloromethyl)-4-ethyloctyl]benzene
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1-(4-chlorophenyl)pentan-2-amine
CID 60820343
(3S)-3-benzylheptan-1-ol
CID 15214037
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111712823
2-[(4-chlorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734361
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]hexan-1-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyl]hexan-1-ol (CID 143267872) is 3-[(4-chlorophenyl)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]hexan-1-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]hexan-1-ol is CCCC(CCO)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]hexan-1-ol?
The InChIKey is SPXYMKUJBXMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-3-11(8-9-15)10-12-4-6-13(14)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]hexan-1-ol?
3-[(4-chlorophenyl)methyl]hexan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]hexan-1-ol is sourced from PubChem (CID 143267872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).