2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol

C16H16Cl2O — CID 107310710

IUPAC2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2
InChIKeyQDFYDQDYIZZIFC-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.39
Rot. Bonds5

About 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol

2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol (PubChem CID 107310710) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
PubChem CID107310710
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2
InChIKeyQDFYDQDYIZZIFC-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863663
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol (CID 107310710) is 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol is OCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol?
The InChIKey is QDFYDQDYIZZIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2.
What are the key properties of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol?
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol has a molecular weight of 295.21 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 107310710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).