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

C17H18Cl2O — CID 66058930

IUPAC2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2O/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(18)8-9-16(13)19/h3-10,20H,2,11-12H2,1H3
InChIKeyULNFQTSYLXTLBL-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.88
Rot. Bonds5

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

2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol (PubChem CID 66058930) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
PubChem CID66058930
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2O/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(18)8-9-16(13)19/h3-10,20H,2,11-12H2,1H3
InChIKeyULNFQTSYLXTLBL-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
CID 79456363
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol (CID 66058930) is 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol is CCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol?
The InChIKey is ULNFQTSYLXTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(18)8-9-16(13)19/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol?
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol has a molecular weight of 309.24 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 66058930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).