2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol

C17H18Cl2O — CID 79008245

IUPAC2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2O/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-10-15(18)8-9-16(14)19/h3-10,20H,2,11-12H2,1H3
InChIKeyVUHDNMYFLMVHLB-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.92
Rot. Bonds5

About 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol

2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol (PubChem CID 79008245) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
PubChem CID79008245
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2O/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-10-15(18)8-9-16(14)19/h3-10,20H,2,11-12H2,1H3
InChIKeyVUHDNMYFLMVHLB-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;3-benzylpentan-3-ol
CID 173295411
2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
CID 65316987
3-benzyl-5-methylhexan-3-ol
CID 79008448
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
CID 79456363
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898
3-(2,5-dichlorophenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66037663

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol?
The IUPAC name of 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol (CID 79008245) is 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol.
What is the SMILES notation for 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol?
The canonical SMILES for 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol is CCC(O)(Cc1ccccc1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol?
The InChIKey is VUHDNMYFLMVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-10-15(18)8-9-16(14)19/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol?
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol has a molecular weight of 309.24 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol is sourced from PubChem (CID 79008245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).